1C> \ingroup nwxc 2C> @{ 3C> 4C> \file nwxcm_c_spbe.F 5C> The nwxcm_c_spbe functional 6C> 7C> @} 8C> 9C> \ingroup nwxc_priv 10C> @{ 11C> 12C> \brief Evaluate the nwxcm_c_spbe functional [1] 13C> 14C> \f{eqnarray*}{ 15C> {\it t_1} &=& \rho_\beta+\rho_\alpha\\\\ 16C> {\it t_2} &=& {\it t_1}^{0.3333333333333333}\\\\ 17C> {\it t_3} &=& {{1}\over{{\it t_2}}}\\\\ 18C> {\it t_4} &=& 0.1325688999052018\,{\it t_3}+1.0\\\\ 19C> {\it t_5} &=& \sqrt{{\it t_2}}\\\\ 20C> {\it t_6} &=& {{1}\over{{\it t_5}}}\\\\ 21C> {\it t_7} &=& \log \left({{1.269642451250142\,{\it t_5}} 22C> \over{0.7876233178997433\,{\it t_6}\,\left(0.7876233178997433 23C> \,{\it t_6}\,\left(0.02414199311453321\,{\it t_6} 24C> +0.10186556948\right)+0.22308199064\right)+0.47231125998}} 25C> +1.0\right)\\\\ 26C> {\it t_8} &=& \rho_\alpha-\rho_\beta\\\\ 27C> {\it t_9} &=& {{1}\over{{\it t_1}}}\\\\ 28C> {\it t_{10}} &=& 1.0-{\it t_8}\,{\it t_9}\\\\ 29C> {\it t_{11}} &=& {\it t_8}\,{\it t_9}+1.0\\\\ 30C> {\it t_{12}} &=& 0.06901399211255826\,{\it t_3}+1.0\\\\ 31C> {\it t_{13}} &=& \log \left({{1.269642451250142\,{ 32C> \it t_5}}\over{0.7876233178997433\,{\it t_6}\, 33C> \left(0.7876233178997433\,{\it t_6}\,\left(0.01321299881039884 34C> \,{\it t_6}+0.029729725188\right)+0.12236585478\right) 35C> +0.3497952466}}+1.0\right)\\\\ 36C> {\it t_{14}} &=& 0.5848223622634648\,\left(1.923661050931536 37C> \,{\it t_{11}}^{{{4}\over{3}}}+1.923661050931536\,{ 38C> \it t_{10}}^{{{4}\over{3}}}-3.847322101863072\right)\, 39C> \left({{{\it t_8}^4\,\left(1.709920934161365\,\left(0.0621814 40C> \,{\it t_4}\,{\it t_7}-0.0310907\,\left(0.1274696188700087 41C> \,{\it t_3}+1.0\right)\,\log \left({{1.269642451250142\,{ 42C> \it t_5}}\over{0.7876233178997433\,{\it t_6}\, 43C> \left(0.7876233178997433\,{\it t_6}\,\left(0.01530901310039024 44C> \,{\it t_6}+0.10465751434\right)+0.19269083139\right) 45C> +0.43896648423}}+1.0\right)\right)-0.0337738\,{\it t_{12}} 46C> \,{\it t_{13}}\right)}\over{{\it t_1}^4}}+0.0337738\,{ 47C> \it t_{12}}\,{\it t_{13}}\right)-0.0621814\,{\it t_4}\,{ 48C> \it t_7}\\\\ 49C> {\it t_{15}} &=& 0.5\,{\it t_{11}}^{{{2}\over{3}}}+0.5\,{ 50C> \it t_{10}}^{{{2}\over{3}}}\\\\ 51C> {\it t_{16}} &=& {\it t_{15}}^{3.0}\\\\ 52C> {\it t_{17}} &=& {{1}\over{\left({ 53C> \it t_1}^{1.166666666666667}\right)^{2.0}}}\\\\ 54C> {\it t_{18}} &=& {{1}\over{{\it t_{15}}^{2.0}}}\\\\ 55C> {\it t_{19}} &=& \sigma_{\beta\beta}+2.0\,\sigma_{\alpha\beta} 56C> +\sigma_{\alpha\alpha}\\\\ 57C> {\it t_{20}} &=& \rho_s^{0.3333333333333333}\\\\ 58C> {\it t_{21}} &=& \sqrt{{\it t_{20}}}\\\\ 59C> {\it t_{22}} &=& {{1}\over{{\it t_{21}}}}\\\\ 60C> {\it t_{23}} &=& {{1}\over{{\it t_{20}}}}\\\\ 61C> {\it t_{24}} &=& \log \left({{1.269642451250142\,{ 62C> \it t_{21}}}\over{0.7876233178997433\,\left(0.7876233178997433 63C> \,\left(0.02414199311453321\,{\it t_{22}}+0.10186556948\right) 64C> \,{\it t_{22}}+0.22308199064\right)\,{\it t_{22}} 65C> +0.47231125998}}+1.0\right)\\\\ 66C> {\it t_{25}} &=& 0.1325688999052018\,{\it t_{23}}+1.0\\\\ 67C> {\it t_{26}} &=& \log \left({{1.269642451250142\,{ 68C> \it t_{21}}}\over{0.7876233178997433\,\left(0.7876233178997433 69C> \,\left(0.01321299881039884\,{\it t_{22}} 70C> +0.029729725188\right)\,{\it t_{22}}+0.12236585478\right)\,{ 71C> \it t_{22}}+0.3497952466}}+1.0\right)\\\\ 72C> {\it t_{27}} &=& 0.06901399211255826\,{\it t_{23}}+1.0\\\\ 73C> {\it t_{28}} &=& 0.5848223622634643\,\left(0.0337738\,{ 74C> \it t_{26}}\,{\it t_{27}}+1.0\,\left(1.709920934161365\, 75C> \left(0.0621814\,{\it t_{24}}\,{\it t_{25}}-0.0310907 76C> \,\log \left({{1.269642451250142\,{\it t_{21}}} 77C> \over{0.7876233178997433\,\left(0.7876233178997433\, 78C> \left(0.01530901310039024\,{\it t_{22}}+0.10465751434\right) 79C> \,{\it t_{22}}+0.19269083139\right)\,{\it t_{22}} 80C> +0.43896648423}}+1.0\right)\,\left(0.1274696188700087\,{ 81C> \it t_{23}}+1.0\right)\right)-0.0337738\,{\it t_{26}}\,{ 82C> \it t_{27}}\right)\right)-0.0621814\,{\it t_{24}}\,{ 83C> \it t_{25}}\\\\ 84C> {\it t_{29}} &=& {{1}\over{ 85C> \left(\rho_s^{1.166666666666667}\right)^{2.0}}}\\\\ 86C> f &=& 0.03109069086965489\,{\it t_1}\,{\it t_{16}}\,\log 87C> \left({{0.1362107888567592\,{\it t_{17}}\,{\it t_{18}}\,{ 88C> \it t_{19}}}\over{{{0.1362107888567592\,{\it t_{17}}\,{ 89C> \it t_{18}}\,{\it t_{19}}}\over{{{1} 90C> \over{e^{{{32.16396844291483\,{\it t_{14}}}\over{{ 91C> \it t_{16}}}}}}}-1.0}}+1.0}}+1.0\right)+1.0\,{\it t_1}\,{ 92C> \it t_{14}}\\\\ 93C> g &=& 0\\\\ 94C> G &=& 0.01554534543482744\,\rho_s\,\log 95C> \left({{0.2162211495206379\,{\it t_{29}}\,\sigma_{ss}} 96C> \over{{{0.2162211495206379\,{\it t_{29}}\,\sigma_{ss}} 97C> \over{{{1}\over{e^{64.32793688582967\,{\it t_{28}}}}}-1.0}} 98C> +1.0}}+1.0\right)+1.0\,{\it t_{28}}\,\rho_s\\\\ 99C> \f} 100C> 101C> Code generated with Maxima 5.34.0 [2] 102C> driven by autoxc [3]. 103C> 104C> ### References ### 105C> 106C> [1] M Swart, M Sola, FM Bickelhaupt, J.Chem.Phys. 131 107C> , 094103 (2009) , DOI: 108C> <a href="https://doi.org/10.1063/1.3213193 "> 109C> 10.1063/1.3213193 </a> 110C> 111C> [2] Maxima, a computer algebra system, 112C> <a href="http://maxima.sourceforge.net/"> 113C> http://maxima.sourceforge.net/</a> 114C> 115C> [3] autoxc, revision 27097 2015-05-08 116C> 117 subroutine nwxcm_c_spbe(param,tol_rho,ipol,nq,wght, 118 +rho,rgamma,fnc,Amat,Cmat) 119c $Id: $ 120#ifdef NWXC_QUAD_PREC 121 implicit real(kind=selected_real_kind(30))(a-h,o-z),integer(i-n) 122 integer, parameter :: rk=selected_real_kind(30) 123#else 124 implicit real(kind=selected_real_kind(15))(a-h,o-z),integer(i-n) 125 integer, parameter :: rk=selected_real_kind(15) 126#endif 127#include "nwxc_param.fh" 128 double precision param(*) !< [Input] Parameters of functional 129 double precision tol_rho !< [Input] The lower limit on the density 130 integer ipol !< [Input] The number of spin channels 131 integer nq !< [Input] The number of points 132 double precision wght !< [Input] The weight of the functional 133 double precision rho(nq,*) !< [Input] The density 134 double precision rgamma(nq,*) !< [Input] The norm of the density 135 !< gradients 136 double precision fnc(nq) !< [Output] The value of the functional 137c 138c Sampling Matrices for the XC Kernel 139c 140 double precision Amat(nq,*) !< [Output] The derivative wrt rho 141 double precision Cmat(nq,*) !< [Output] The derivative wrt rgamma 142 integer iq 143 double precision tmp 144 double precision rhoa,rhob 145 double precision gammaaa,gammaab,gammabb 146 double precision taua,taub 147 double precision nwxcm_heaviside 148 external nwxcm_heaviside 149CDIR$ NOVECTOR 150 do iq = 1, nq 151 if (ipol.eq.1) then 152 rhoa = 0.5d0*rho(iq,R_T) 153 gammaaa = 0.25d0*rgamma(iq,G_TT) 154 if (rhoa.gt.tol_rho) then 155 t1 = rhoa**3.333333333333333d-1 156 t2 = t1**5.0d-1 157 t3 = 1/t2 158 t4 = log(1.4251254664507676d+0*t2/(7.016926042943223d-1*t3*( 159 1 7.016926042943223d-1*(2.150807071909054d-2*t3+1.018655694 160 2 8d-1)*t3+2.2308199064d-1)+4.7231125998d-1)+1.0d+0) 161 t5 = 1/t1 162 t6 = 1.0522000558389215d-1*t5+1.0d+0 163 t7 = rhoa**1.1666666666666667d+0 164 t8 = 1/t7**2.0d+0 165 t9 = 2.1508070719090538d-2*t3+1.0186556948d-1 166 t10 = 7.016926042943222d-1*t3*t9+2.2308199064d-1 167 t11 = 7.016926042943222d-1*t10*t3+4.7231125998d-1 168 t12 = 1/t11 169 t13 = 1.425125466450768d+0*t12*t2+1.0d+0 170 t14 = log(t13) 171 t15 = 1.0522000558389213d-1*t5+1.0d+0 172 t16 = 1/t2**3 173 t17 = 1/rhoa**6.666666666666667d-1 174 t18 = 1.090454542535705d-3*t14/rhoa**1.3333333333333333d+0-6 175 1 .21814d-2*t15*(1.1876045553756398d-1*t12*t17*t3-1.4251254 176 2 66450768d+0*t2*(7.016926042943222d-1*t3*(-5.8474383691193 177 3 52d-2*t16*t17*t9-1.2576711796854242d-3/rhoa**1.3333333333 178 4 333336d+0)-5.847438369119352d-2*t10*t16*t17)/t11**2)/t13 179 t19 = exp(2.0000005873362642d+0*t14*t15) 180 t20 = t19-1.0d+0 181 t21 = 1/t20 182 t22 = 1.0811057476031893d-1*gammaaa*t21*t8+1.0d+0 183 t23 = 1/t22 184 t24 = 1.0811057476031893d-1*gammaaa*t23*t8+1.0d+0 185 t25 = 1/t24 186 t26 = rhoa**1.6666666666666674d-1 187 t27 = 1/t7**3.0d+0 188 t28 = 1/t22**2 189 t29 = 1/t7**4.0d+0 190 fnc(iq) = (6.218138173930978d-2*rhoa*log(1.0811057476031892d 191 1 -1*gammaaa*t8/(1.0811057476031892d-1*gammaaa*t8/(exp(2.00 192 2 00005873362642d+0*t4*t6)-1.0d+0)+1.0d+0)+1.0d+0)-1.243628 193 3 d-1*rhoa*t4*t6)*wght+fnc(iq) 194 Amat(iq,D1_RA) = (6.218138173930978d-2*rhoa*t25*(-1.08110574 195 1 76031893d-1*gammaaa*t28*t8*(3.4772651149362827d+0*gammaaa 196 2 *t18*t19*t8/t20**2-1.2612900388703877d-1*gammaaa*t21*t26* 197 3 t27)-1.2612900388703877d-1*gammaaa*t23*t26*t27)+3.1090690 198 4 86965489d-2*log(t24)+2.0d+0*rhoa*t18-6.21814d-2*t14*t15)* 199 5 wght+Amat(iq,D1_RA) 200 Cmat(iq,D1_GAA) = 6.218138173930978d-2*rhoa*t25*(2.702764369 201 1 0079733d-2*t23*t8-2.9219740937516275d-3*gammaaa*t21*t28*t 202 2 29)*wght+Cmat(iq,D1_GAA) 203 Cmat(iq,D1_GAB) = 6.218138173930978d-2*rhoa*t25*(5.405528738 204 1 015947d-2*t23*t8-5.843948187503255d-3*gammaaa*t21*t28*t29 205 2 )*wght+Cmat(iq,D1_GAB) 206 endif ! rhoa.gt.tol_rho 207 else ! ipol.eq.1 208 rhoa = rho(iq,R_A) 209 rhob = rho(iq,R_B) 210 gammaaa = rgamma(iq,G_AA) 211 gammaab = rgamma(iq,G_AB) 212 gammabb = rgamma(iq,G_BB) 213 if (rhoa.gt.tol_rho.and.rhob.gt.tol_rho) then 214 t1 = rhob+rhoa 215 t2 = t1**3.333333333333333d-1 216 t3 = 1/t2 217 t4 = 1.325688999052018d-1*t3+1.0d+0 218 t5 = t2**5.0d-1 219 t6 = 1/t5 220 t7 = 2.4141993114533214d-2*t6+1.0186556948d-1 221 t8 = 7.876233178997433d-1*t6*t7+2.2308199064d-1 222 t9 = 7.876233178997433d-1*t6*t8+4.7231125998d-1 223 t10 = 1/t9 224 t11 = 1.269642451250142d+0*t10*t5+1.0d+0 225 t12 = log(t11) 226 t13 = rhoa-rhob 227 t14 = 1/t1 228 t15 = 1.0d+0-t13*t14 229 t16 = t13*t14+1.0d+0 230 t17 = 1.923661050931536d+0*t16**1.3333333333333333d+0+1.9236 231 1 61050931536d+0*t15**1.3333333333333333d+0-3.8473221018630 232 2 72d+0 233 t18 = 6.901399211255826d-2*t3+1.0d+0 234 t19 = 1.3212998810398843d-2*t6+2.9729725188d-2 235 t20 = 7.876233178997433d-1*t19*t6+1.2236585478d-1 236 t21 = 7.876233178997433d-1*t20*t6+3.497952466d-1 237 t22 = 1/t21 238 t23 = 1.269642451250142d+0*t22*t5+1.0d+0 239 t24 = log(t23) 240 t25 = t13**4 241 t26 = 1/t1**4 242 t27 = 1.2746961887000874d-1*t3+1.0d+0 243 t28 = 1.530901310039024d-2*t6+1.0465751434d-1 244 t29 = 7.876233178997433d-1*t28*t6+1.9269083139d-1 245 t30 = 7.876233178997433d-1*t29*t6+4.3896648423d-1 246 t31 = 1/t30 247 t32 = 1.269642451250142d+0*t31*t5+1.0d+0 248 t33 = log(t32) 249 t34 = 1.709920934161365d+0*(6.21814d-2*t12*t4-3.10907d-2*t27 250 1 *t33)-3.37738d-2*t18*t24 251 t35 = t25*t26*t34+3.37738d-2*t18*t24 252 t36 = 5.848223622634648d-1*t17*t35-6.21814d-2*t12*t4 253 t37 = 5.0d-1*t16**6.666666666666666d-1+5.0d-1*t15**6.6666666 254 1 66666666d-1 255 t38 = t37**3.0d+0 256 t39 = gammabb+2.0d+0*gammaab+gammaaa 257 t40 = t1**1.1666666666666667d+0 258 t41 = 1/t40**2.0d+0 259 t42 = t37**2.0d+0 260 t43 = 1/t42 261 t44 = 1/t38 262 t45 = exp(-3.216396844291483d+1*t36*t44) 263 t46 = t45-1.0d+0 264 t47 = 1/t46 265 t48 = 1.3621078885675922d-1*t39*t41*t43*t47+1.0d+0 266 t49 = 1/t48 267 t50 = 1.3621078885675922d-1*t39*t41*t43*t49+1.0d+0 268 t51 = log(t50) 269 t52 = 1/t1**1.3333333333333336d+0 270 t53 = 1/t1**6.666666666666667d-1 271 t54 = 1/t5**3 272 t55 = 2.11607075208357d-1*t10*t53*t6-1.269642451250142d+0*t5 273 1 *(7.876233178997433d-1*t6*(-1.3127055298329054d-1*t53*t54 274 2 *t7-3.169132786263567d-3*t52)-1.3127055298329054d-1*t53*t 275 3 54*t8)/t9**2 276 t56 = 1/t11 277 t57 = -6.21814d-2*t4*t55*t56 278 t58 = 1/t1**1.3333333333333333d+0 279 t59 = 2.747773264188438d-3*t12*t58 280 t60 = 2.11607075208357d-1*t22*t53*t6-1.269642451250142d+0*t5 281 1 *(7.876233178997433d-1*(-1.3127055298329054d-1*t19*t53*t5 282 2 4-1.7344776604086162d-3*t52)*t6-1.3127055298329054d-1*t20 283 3 *t53*t54)/t21**2 284 t61 = 1/t23 285 t62 = 3.37738d-2*t18*t60*t61 286 t63 = -7.769549222703733d-4*t24*t58 287 t64 = t25*t26*(-3.37738d-2*t18*t60*t61+1.709920934161365d+0* 288 1 (-3.10907d-2*t27*(2.11607075208357d-1*t31*t53*t6-1.269642 289 2 451250142d+0*t5*(7.876233178997433d-1*(-1.312705529832905 290 3 4d-1*t28*t53*t54-2.0096226153166658d-3*t52)*t6-1.31270552 291 4 98329054d-1*t29*t53*t54)/t30**2)/t32+1.3210398931339265d- 292 5 3*t33*t58-2.747773264188438d-3*t12*t58+6.21814d-2*t4*t55* 293 6 t56)+7.769549222703733d-4*t24*t58) 294 t65 = -4*t25*t34/t1**5 295 t66 = t13**3 296 t67 = 1/t1**2 297 t68 = t13*t67 298 t69 = -t14 299 t70 = t69+t68 300 t71 = t15**3.333333333333333d-1 301 t72 = -t13*t67 302 t73 = t72+t14 303 t74 = t16**3.333333333333333d-1 304 t75 = 5.848223622634648d-1*t35*(2.564881401242048d+0*t73*t74 305 1 +2.564881401242048d+0*t70*t71)+5.848223622634648d-1*t17*( 306 2 4*t26*t34*t66+t65+t64+t63+t62)+t59+t57 307 t76 = 1.0d+0*t36 308 t77 = 1/t50 309 t78 = 1/t71 310 t79 = 1/t74 311 t80 = 3.333333333333333d-1*t73*t79+3.333333333333333d-1*t70* 312 1 t78 313 t81 = t1**1.6666666666666674d-1 314 t82 = 1/t40**3.0d+0 315 t83 = -3.1782517399910487d-1*t39*t43*t49*t81*t82 316 t84 = 1/t48**2 317 t85 = -3.1782517399910487d-1*t39*t43*t47*t81*t82 318 t86 = 1/t46**2 319 t87 = 1/t37**4.0d+0 320 t88 = 3.109069086965489d-2*t38*t51 321 t89 = t68+t14 322 t90 = t72+t69 323 t91 = 5.848223622634648d-1*t35*(2.564881401242048d+0*t74*t90 324 1 +2.564881401242048d+0*t71*t89)+5.848223622634648d-1*t17*( 325 2 -4*t26*t34*t66+t65+t64+t63+t62)+t59+t57 326 t92 = 3.333333333333333d-1*t79*t90+3.333333333333333d-1*t78* 327 1 t89 328 t93 = 1/t40**4.0d+0 329 t94 = 3.109069086965489d-2*t1*t38*t77*(1.3621078885675922d-1 330 1 *t41*t43*t49-1.855337900098064d-2*t39*t47*t84*t87*t93)*wg 331 2 ht 332 fnc(iq) = (3.109069086965489d-2*t1*t38*t51+1.0d+0*t1*t36)*wg 333 1 ht+fnc(iq) 334 Amat(iq,D1_RA) = (t88+3.109069086965489d-2*t1*t38*t77*(-1.36 335 1 21078885675922d-1*t39*t41*t43*t84*(-1.3621078885675922d-1 336 2 *t39*t41*t43*t45*t86*(9.649190532874448d+1*t36*t80*t87-3. 337 3 216396844291483d+1*t44*t75)+t85-2.7242157771351844d-1*t39 338 4 *t41*t44*t47*t80)+t83-2.7242157771351844d-1*t39*t41*t44*t 339 5 49*t80)+9.327207260896466d-2*t1*t42*t51*t80+t76+1.0d+0*t1 340 6 *t75)*wght+Amat(iq,D1_RA) 341 Amat(iq,D1_RB) = (3.109069086965489d-2*t1*t38*t77*(-1.362107 342 1 8885675922d-1*t39*t41*t43*t84*(-1.3621078885675922d-1*t39 343 2 *t41*t43*t45*t86*(9.649190532874448d+1*t36*t87*t92-3.2163 344 3 96844291483d+1*t44*t91)-2.7242157771351844d-1*t39*t41*t44 345 4 *t47*t92+t85)-2.7242157771351844d-1*t39*t41*t44*t49*t92+t 346 5 83)+9.327207260896466d-2*t1*t42*t51*t92+1.0d+0*t1*t91+t88 347 6 +t76)*wght+Amat(iq,D1_RB) 348 Cmat(iq,D1_GAA) = t94+Cmat(iq,D1_GAA) 349 Cmat(iq,D1_GAB) = 3.109069086965489d-2*t1*t38*t77*(2.7242157 350 1 771351844d-1*t41*t43*t49-3.710675800196128d-2*t39*t47*t84 351 2 *t87*t93)*wght+Cmat(iq,D1_GAB) 352 Cmat(iq,D1_GBB) = t94+Cmat(iq,D1_GBB) 353 elseif (rhoa.gt.tol_rho.and.rhob.le.tol_rho) then 354 t1 = rhoa**3.333333333333333d-1 355 t2 = t1**5.0d-1 356 t3 = 1/t2 357 t4 = 1.530901310039024d-2*t3+1.0465751434d-1 358 t5 = 7.876233178997433d-1*t3*t4+1.9269083139d-1 359 t6 = 7.876233178997433d-1*t3*t5+4.3896648423d-1 360 t7 = 1/t6 361 t8 = 1.269642451250142d+0*t2*t7+1.0d+0 362 t9 = log(t8) 363 t10 = 1/t1 364 t11 = 1.2746961887000874d-1*t10+1.0d+0 365 t12 = 2.4141993114533214d-2*t3+1.0186556948d-1 366 t13 = 7.876233178997433d-1*t12*t3+2.2308199064d-1 367 t14 = 7.876233178997433d-1*t13*t3+4.7231125998d-1 368 t15 = 1/t14 369 t16 = 1.269642451250142d+0*t15*t2+1.0d+0 370 t17 = log(t16) 371 t18 = 1.325688999052018d-1*t10+1.0d+0 372 t19 = 1.3212998810398843d-2*t3+2.9729725188d-2 373 t20 = 7.876233178997433d-1*t19*t3+1.2236585478d-1 374 t21 = 7.876233178997433d-1*t20*t3+3.497952466d-1 375 t22 = 1/t21 376 t23 = 1.269642451250142d+0*t2*t22+1.0d+0 377 t24 = log(t23) 378 t25 = 6.901399211255826d-2*t10+1.0d+0 379 t26 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(6. 380 1 21814d-2*t17*t18-3.10907d-2*t11*t9)-3.37738d-2*t24*t25)+3 381 2 .37738d-2*t24*t25)-6.21814d-2*t17*t18 382 t27 = rhoa**1.1666666666666667d+0 383 t28 = 1/t27**2.0d+0 384 t29 = exp(-6.432793688582967d+1*t26) 385 t30 = t29-1.0d+0 386 t31 = 1/t30 387 t32 = 2.1622114952063792d-1*gammaaa*t28*t31+1.0d+0 388 t33 = 1/t32 389 t34 = 2.1622114952063792d-1*gammaaa*t28*t33+1.0d+0 390 t35 = log(t34) 391 t36 = 1/rhoa**1.3333333333333333d+0 392 t37 = 1/rhoa**1.3333333333333336d+0 393 t38 = 1/t2**3 394 t39 = 1/rhoa**6.666666666666667d-1 395 t40 = 1/t16 396 t41 = 2.11607075208357d-1*t15*t3*t39-1.269642451250142d+0*t2 397 1 *(7.876233178997433d-1*t3*(-1.3127055298329054d-1*t12*t38 398 2 *t39-3.169132786263567d-3*t37)-1.3127055298329054d-1*t13* 399 3 t38*t39)/t14**2 400 t42 = 1/t23 401 t43 = 2.11607075208357d-1*t22*t3*t39-1.269642451250142d+0*t2 402 1 *(7.876233178997433d-1*t3*(-1.3127055298329054d-1*t19*t38 403 2 *t39-1.7344776604086162d-3*t37)-1.3127055298329054d-1*t20 404 3 *t38*t39)/t21**2 405 t44 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(1. 406 1 3210398931339265d-3*t36*t9-3.10907d-2*t11*(2.116070752083 407 2 57d-1*t3*t39*t7-1.269642451250142d+0*t2*(7.87623317899743 408 3 3d-1*t3*(-1.3127055298329054d-1*t38*t39*t4-2.009622615316 409 4 6658d-3*t37)-1.3127055298329054d-1*t38*t39*t5)/t6**2)/t8+ 410 5 6.21814d-2*t18*t40*t41-2.747773264188438d-3*t17*t36)-3.37 411 6 738d-2*t25*t42*t43+7.769549222703733d-4*t24*t36)+3.37738d 412 7 -2*t25*t42*t43-7.769549222703733d-4*t24*t36)-6.21814d-2*t 413 8 18*t40*t41+2.747773264188438d-3*t17*t36 414 t45 = 1/t34 415 t46 = rhoa**1.6666666666666674d-1 416 t47 = 1/t27**3.0d+0 417 t48 = 1/t32**2 418 fnc(iq) = (1.5545345434827443d-2*rhoa*t35+1.0d+0*rhoa*t26)*w 419 1 ght+fnc(iq) 420 Amat(iq,D1_RA) = (1.5545345434827443d-2*rhoa*t45*(-2.1622114 421 1 952063792d-1*gammaaa*t28*(1.3909060459745137d+1*gammaaa*t 422 2 28*t29*t44/t30**2-5.045160155481552d-1*gammaaa*t31*t46*t4 423 3 7)*t48-5.045160155481552d-1*gammaaa*t33*t46*t47)+1.0d+0*r 424 4 hoa*t44+1.5545345434827443d-2*t35+1.0d+0*t26)*wght+Amat(i 425 5 q,D1_RA) 426 Cmat(iq,D1_GAA) = 1.5545345434827443d-2*rhoa*t45*(2.16221149 427 1 52063792d-1*t28*t33-4.675158550002606d-2*gammaaa*t31*t48/ 428 2 t27**4.0d+0)*wght+Cmat(iq,D1_GAA) 429 elseif (rhoa.le.tol_rho.and.rhob.gt.tol_rho) then 430 t1 = rhob**3.333333333333333d-1 431 t2 = t1**5.0d-1 432 t3 = 1/t2 433 t4 = 1.530901310039024d-2*t3+1.0465751434d-1 434 t5 = 7.876233178997433d-1*t3*t4+1.9269083139d-1 435 t6 = 7.876233178997433d-1*t3*t5+4.3896648423d-1 436 t7 = 1/t6 437 t8 = 1.269642451250142d+0*t2*t7+1.0d+0 438 t9 = log(t8) 439 t10 = 1/t1 440 t11 = 1.2746961887000874d-1*t10+1.0d+0 441 t12 = 2.4141993114533214d-2*t3+1.0186556948d-1 442 t13 = 7.876233178997433d-1*t12*t3+2.2308199064d-1 443 t14 = 7.876233178997433d-1*t13*t3+4.7231125998d-1 444 t15 = 1/t14 445 t16 = 1.269642451250142d+0*t15*t2+1.0d+0 446 t17 = log(t16) 447 t18 = 1.325688999052018d-1*t10+1.0d+0 448 t19 = 1.3212998810398843d-2*t3+2.9729725188d-2 449 t20 = 7.876233178997433d-1*t19*t3+1.2236585478d-1 450 t21 = 7.876233178997433d-1*t20*t3+3.497952466d-1 451 t22 = 1/t21 452 t23 = 1.269642451250142d+0*t2*t22+1.0d+0 453 t24 = log(t23) 454 t25 = 6.901399211255826d-2*t10+1.0d+0 455 t26 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(6. 456 1 21814d-2*t17*t18-3.10907d-2*t11*t9)-3.37738d-2*t24*t25)+3 457 2 .37738d-2*t24*t25)-6.21814d-2*t17*t18 458 t27 = rhob**1.1666666666666667d+0 459 t28 = 1/t27**2.0d+0 460 t29 = exp(-6.432793688582967d+1*t26) 461 t30 = t29-1.0d+0 462 t31 = 1/t30 463 t32 = 2.1622114952063792d-1*gammabb*t28*t31+1.0d+0 464 t33 = 1/t32 465 t34 = 2.1622114952063792d-1*gammabb*t28*t33+1.0d+0 466 t35 = log(t34) 467 t36 = 1/rhob**1.3333333333333333d+0 468 t37 = 1/rhob**1.3333333333333336d+0 469 t38 = 1/t2**3 470 t39 = 1/rhob**6.666666666666667d-1 471 t40 = 1/t16 472 t41 = 2.11607075208357d-1*t15*t3*t39-1.269642451250142d+0*t2 473 1 *(7.876233178997433d-1*t3*(-1.3127055298329054d-1*t12*t38 474 2 *t39-3.169132786263567d-3*t37)-1.3127055298329054d-1*t13* 475 3 t38*t39)/t14**2 476 t42 = 1/t23 477 t43 = 2.11607075208357d-1*t22*t3*t39-1.269642451250142d+0*t2 478 1 *(7.876233178997433d-1*t3*(-1.3127055298329054d-1*t19*t38 479 2 *t39-1.7344776604086162d-3*t37)-1.3127055298329054d-1*t20 480 3 *t38*t39)/t21**2 481 t44 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(1. 482 1 3210398931339265d-3*t36*t9-3.10907d-2*t11*(2.116070752083 483 2 57d-1*t3*t39*t7-1.269642451250142d+0*t2*(7.87623317899743 484 3 3d-1*t3*(-1.3127055298329054d-1*t38*t39*t4-2.009622615316 485 4 6658d-3*t37)-1.3127055298329054d-1*t38*t39*t5)/t6**2)/t8+ 486 5 6.21814d-2*t18*t40*t41-2.747773264188438d-3*t17*t36)-3.37 487 6 738d-2*t25*t42*t43+7.769549222703733d-4*t24*t36)+3.37738d 488 7 -2*t25*t42*t43-7.769549222703733d-4*t24*t36)-6.21814d-2*t 489 8 18*t40*t41+2.747773264188438d-3*t17*t36 490 t45 = 1/t34 491 t46 = rhob**1.6666666666666674d-1 492 t47 = 1/t27**3.0d+0 493 t48 = 1/t32**2 494 fnc(iq) = (1.5545345434827443d-2*rhob*t35+1.0d+0*rhob*t26)*w 495 1 ght+fnc(iq) 496 Amat(iq,D1_RB) = (1.5545345434827443d-2*rhob*t45*(-2.1622114 497 1 952063792d-1*gammabb*t28*(1.3909060459745137d+1*gammabb*t 498 2 28*t29*t44/t30**2-5.045160155481552d-1*gammabb*t31*t46*t4 499 3 7)*t48-5.045160155481552d-1*gammabb*t33*t46*t47)+1.0d+0*r 500 4 hob*t44+1.5545345434827443d-2*t35+1.0d+0*t26)*wght+Amat(i 501 5 q,D1_RB) 502 Cmat(iq,D1_GBB) = 1.5545345434827443d-2*rhob*t45*(2.16221149 503 1 52063792d-1*t28*t33-4.675158550002606d-2*gammabb*t31*t48/ 504 2 t27**4.0d+0)*wght+Cmat(iq,D1_GBB) 505 endif ! rhoa.gt.tol_rho.and.rhob.gt.tol_rho 506 endif ! ipol.eq.1 507 enddo ! iq 508 end 509C> 510C> \brief Evaluate the nwxcm_c_spbe functional [1] 511C> 512C> \f{eqnarray*}{ 513C> {\it t_1} &=& \rho_\beta+\rho_\alpha\\\\ 514C> {\it t_2} &=& {\it t_1}^{0.3333333333333333}\\\\ 515C> {\it t_3} &=& {{1}\over{{\it t_2}}}\\\\ 516C> {\it t_4} &=& 0.1325688999052018\,{\it t_3}+1.0\\\\ 517C> {\it t_5} &=& \sqrt{{\it t_2}}\\\\ 518C> {\it t_6} &=& {{1}\over{{\it t_5}}}\\\\ 519C> {\it t_7} &=& \log \left({{1.269642451250142\,{\it t_5}} 520C> \over{0.7876233178997433\,{\it t_6}\,\left(0.7876233178997433 521C> \,{\it t_6}\,\left(0.02414199311453321\,{\it t_6} 522C> +0.10186556948\right)+0.22308199064\right)+0.47231125998}} 523C> +1.0\right)\\\\ 524C> {\it t_8} &=& \rho_\alpha-\rho_\beta\\\\ 525C> {\it t_9} &=& {{1}\over{{\it t_1}}}\\\\ 526C> {\it t_{10}} &=& 1.0-{\it t_8}\,{\it t_9}\\\\ 527C> {\it t_{11}} &=& {\it t_8}\,{\it t_9}+1.0\\\\ 528C> {\it t_{12}} &=& 0.06901399211255826\,{\it t_3}+1.0\\\\ 529C> {\it t_{13}} &=& \log \left({{1.269642451250142\,{ 530C> \it t_5}}\over{0.7876233178997433\,{\it t_6}\, 531C> \left(0.7876233178997433\,{\it t_6}\,\left(0.01321299881039884 532C> \,{\it t_6}+0.029729725188\right)+0.12236585478\right) 533C> +0.3497952466}}+1.0\right)\\\\ 534C> {\it t_{14}} &=& 0.5848223622634648\,\left(1.923661050931536 535C> \,{\it t_{11}}^{{{4}\over{3}}}+1.923661050931536\,{ 536C> \it t_{10}}^{{{4}\over{3}}}-3.847322101863072\right)\, 537C> \left({{{\it t_8}^4\,\left(1.709920934161365\,\left(0.0621814 538C> \,{\it t_4}\,{\it t_7}-0.0310907\,\left(0.1274696188700087 539C> \,{\it t_3}+1.0\right)\,\log \left({{1.269642451250142\,{ 540C> \it t_5}}\over{0.7876233178997433\,{\it t_6}\, 541C> \left(0.7876233178997433\,{\it t_6}\,\left(0.01530901310039024 542C> \,{\it t_6}+0.10465751434\right)+0.19269083139\right) 543C> +0.43896648423}}+1.0\right)\right)-0.0337738\,{\it t_{12}} 544C> \,{\it t_{13}}\right)}\over{{\it t_1}^4}}+0.0337738\,{ 545C> \it t_{12}}\,{\it t_{13}}\right)-0.0621814\,{\it t_4}\,{ 546C> \it t_7}\\\\ 547C> {\it t_{15}} &=& 0.5\,{\it t_{11}}^{{{2}\over{3}}}+0.5\,{ 548C> \it t_{10}}^{{{2}\over{3}}}\\\\ 549C> {\it t_{16}} &=& {\it t_{15}}^{3.0}\\\\ 550C> {\it t_{17}} &=& {{1}\over{\left({ 551C> \it t_1}^{1.166666666666667}\right)^{2.0}}}\\\\ 552C> {\it t_{18}} &=& {{1}\over{{\it t_{15}}^{2.0}}}\\\\ 553C> {\it t_{19}} &=& \sigma_{\beta\beta}+2.0\,\sigma_{\alpha\beta} 554C> +\sigma_{\alpha\alpha}\\\\ 555C> {\it t_{20}} &=& \rho_s^{0.3333333333333333}\\\\ 556C> {\it t_{21}} &=& \sqrt{{\it t_{20}}}\\\\ 557C> {\it t_{22}} &=& {{1}\over{{\it t_{21}}}}\\\\ 558C> {\it t_{23}} &=& {{1}\over{{\it t_{20}}}}\\\\ 559C> {\it t_{24}} &=& \log \left({{1.269642451250142\,{ 560C> \it t_{21}}}\over{0.7876233178997433\,\left(0.7876233178997433 561C> \,\left(0.02414199311453321\,{\it t_{22}}+0.10186556948\right) 562C> \,{\it t_{22}}+0.22308199064\right)\,{\it t_{22}} 563C> +0.47231125998}}+1.0\right)\\\\ 564C> {\it t_{25}} &=& 0.1325688999052018\,{\it t_{23}}+1.0\\\\ 565C> {\it t_{26}} &=& \log \left({{1.269642451250142\,{ 566C> \it t_{21}}}\over{0.7876233178997433\,\left(0.7876233178997433 567C> \,\left(0.01321299881039884\,{\it t_{22}} 568C> +0.029729725188\right)\,{\it t_{22}}+0.12236585478\right)\,{ 569C> \it t_{22}}+0.3497952466}}+1.0\right)\\\\ 570C> {\it t_{27}} &=& 0.06901399211255826\,{\it t_{23}}+1.0\\\\ 571C> {\it t_{28}} &=& 0.5848223622634643\,\left(0.0337738\,{ 572C> \it t_{26}}\,{\it t_{27}}+1.0\,\left(1.709920934161365\, 573C> \left(0.0621814\,{\it t_{24}}\,{\it t_{25}}-0.0310907 574C> \,\log \left({{1.269642451250142\,{\it t_{21}}} 575C> \over{0.7876233178997433\,\left(0.7876233178997433\, 576C> \left(0.01530901310039024\,{\it t_{22}}+0.10465751434\right) 577C> \,{\it t_{22}}+0.19269083139\right)\,{\it t_{22}} 578C> +0.43896648423}}+1.0\right)\,\left(0.1274696188700087\,{ 579C> \it t_{23}}+1.0\right)\right)-0.0337738\,{\it t_{26}}\,{ 580C> \it t_{27}}\right)\right)-0.0621814\,{\it t_{24}}\,{ 581C> \it t_{25}}\\\\ 582C> {\it t_{29}} &=& {{1}\over{ 583C> \left(\rho_s^{1.166666666666667}\right)^{2.0}}}\\\\ 584C> f &=& 0.03109069086965489\,{\it t_1}\,{\it t_{16}}\,\log 585C> \left({{0.1362107888567592\,{\it t_{17}}\,{\it t_{18}}\,{ 586C> \it t_{19}}}\over{{{0.1362107888567592\,{\it t_{17}}\,{ 587C> \it t_{18}}\,{\it t_{19}}}\over{{{1} 588C> \over{e^{{{32.16396844291483\,{\it t_{14}}}\over{{ 589C> \it t_{16}}}}}}}-1.0}}+1.0}}+1.0\right)+1.0\,{\it t_1}\,{ 590C> \it t_{14}}\\\\ 591C> g &=& 0\\\\ 592C> G &=& 0.01554534543482744\,\rho_s\,\log 593C> \left({{0.2162211495206379\,{\it t_{29}}\,\sigma_{ss}} 594C> \over{{{0.2162211495206379\,{\it t_{29}}\,\sigma_{ss}} 595C> \over{{{1}\over{e^{64.32793688582967\,{\it t_{28}}}}}-1.0}} 596C> +1.0}}+1.0\right)+1.0\,{\it t_{28}}\,\rho_s\\\\ 597C> \f} 598C> 599C> Code generated with Maxima 5.34.0 [2] 600C> driven by autoxc [3]. 601C> 602C> ### References ### 603C> 604C> [1] M Swart, M Sola, FM Bickelhaupt, J.Chem.Phys. 131 605C> , 094103 (2009) , DOI: 606C> <a href="https://doi.org/10.1063/1.3213193 "> 607C> 10.1063/1.3213193 </a> 608C> 609C> [2] Maxima, a computer algebra system, 610C> <a href="http://maxima.sourceforge.net/"> 611C> http://maxima.sourceforge.net/</a> 612C> 613C> [3] autoxc, revision 27097 2015-05-08 614C> 615 subroutine nwxcm_c_spbe_d2(param,tol_rho,ipol,nq,wght, 616 +rho,rgamma,fnc,Amat,Amat2,Cmat,Cmat2) 617c $Id: $ 618#ifdef NWXC_QUAD_PREC 619 implicit real(kind=selected_real_kind(30))(a-h,o-z),integer(i-n) 620 integer, parameter :: rk=selected_real_kind(30) 621#else 622 implicit real(kind=selected_real_kind(15))(a-h,o-z),integer(i-n) 623 integer, parameter :: rk=selected_real_kind(15) 624#endif 625#include "nwxc_param.fh" 626 double precision param(*) !< [Input] Parameters of functional 627 double precision tol_rho !< [Input] The lower limit on the density 628 integer ipol !< [Input] The number of spin channels 629 integer nq !< [Input] The number of points 630 double precision wght !< [Input] The weight of the functional 631 double precision rho(nq,*) !< [Input] The density 632 double precision rgamma(nq,*) !< [Input] The norm of the density 633 !< gradients 634 double precision fnc(nq) !< [Output] The value of the functional 635c 636c Sampling Matrices for the XC Kernel 637c 638 double precision Amat(nq,*) !< [Output] The derivative wrt rho 639 double precision Cmat(nq,*) !< [Output] The derivative wrt rgamma 640c 641c Sampling Matrices for the XC Kernel 642c 643 double precision Amat2(nq,*) !< [Output] The 2nd derivative wrt rho 644 double precision Cmat2(nq,*) !< [Output] The 2nd derivative wrt rgamma 645 !< and possibly rho 646 integer iq 647 double precision tmp 648 double precision rhoa,rhob 649 double precision gammaaa,gammaab,gammabb 650 double precision taua,taub 651 double precision nwxcm_heaviside 652 external nwxcm_heaviside 653CDIR$ NOVECTOR 654 do iq = 1, nq 655 if (ipol.eq.1) then 656 rhoa = 0.5d0*rho(iq,R_T) 657 gammaaa = 0.25d0*rgamma(iq,G_TT) 658 if (rhoa.gt.tol_rho) then 659 t1 = rhoa**3.333333333333333d-1 660 t2 = t1**5.0d-1 661 t3 = 1/t2 662 t4 = log(1.4251254664507676d+0*t2/(7.016926042943223d-1*t3*( 663 1 7.016926042943223d-1*(2.150807071909054d-2*t3+1.018655694 664 2 8d-1)*t3+2.2308199064d-1)+4.7231125998d-1)+1.0d+0) 665 t5 = 1/t1 666 t6 = 1.0522000558389215d-1*t5+1.0d+0 667 t7 = rhoa**1.1666666666666667d+0 668 t8 = 1/t7**2.0d+0 669 t9 = 2.1508070719090538d-2*t3+1.0186556948d-1 670 t10 = 7.016926042943222d-1*t3*t9+2.2308199064d-1 671 t11 = 7.016926042943222d-1*t10*t3+4.7231125998d-1 672 t12 = 1/t11 673 t13 = 1.425125466450768d+0*t12*t2+1.0d+0 674 t14 = log(t13) 675 t15 = 1.0522000558389213d-1*t5+1.0d+0 676 t16 = 1/rhoa**1.3333333333333333d+0 677 t17 = 1/t13 678 t18 = 1/t11**2 679 t19 = 1/rhoa**1.3333333333333336d+0 680 t20 = 1/t2**3 681 t21 = 1/rhoa**6.666666666666667d-1 682 t22 = -5.847438369119352d-2*t20*t21*t9-1.2576711796854242d-3 683 1 *t19 684 t23 = 7.016926042943222d-1*t22*t3-5.847438369119352d-2*t10*t 685 1 20*t21 686 t24 = 1.1876045553756398d-1*t12*t21*t3-1.425125466450768d+0* 687 1 t18*t2*t23 688 t25 = 1.090454542535705d-3*t14*t16-6.21814d-2*t15*t17*t24 689 t26 = exp(2.0000005873362642d+0*t14*t15) 690 t27 = t26-1.0d+0 691 t28 = 1/t27 692 t29 = 1.0811057476031893d-1*gammaaa*t28*t8+1.0d+0 693 t30 = 1/t29 694 t31 = 1.0811057476031893d-1*gammaaa*t30*t8+1.0d+0 695 t32 = 1/t31 696 t33 = rhoa**1.6666666666666674d-1 697 t34 = 1/t7**3.0d+0 698 t35 = 1/t29**2 699 t36 = 1/t27**2 700 t37 = 3.4772651149362827d+0*gammaaa*t25*t26*t36*t8-1.2612900 701 1 388703877d-1*gammaaa*t28*t33*t34 702 t38 = -1.0811057476031893d-1*gammaaa*t35*t37*t8-1.2612900388 703 1 703877d-1*gammaaa*t30*t33*t34 704 t39 = log(t31) 705 t40 = 1/t7**4.0d+0 706 t41 = 2.7027643690079733d-2*t30*t8-2.9219740937516275d-3*gam 707 1 maaa*t28*t35*t40 708 t42 = 5.405528738015947d-2*t30*t8-5.843948187503255d-3*gamma 709 1 aa*t28*t35*t40 710 t43 = 2.0d+0*t25 711 t44 = -7.269696950238034d-4*t14/rhoa**2.333333333333333d+0 712 t45 = log(1.425125466450768d+0*t2/(7.016926042943222d-1*t3*( 713 1 7.016926042943222d-1*(1.1771443702974158d-2*t3+2.97297251 714 2 88d-2)*t3+1.2236585478d-1)+3.497952466d-1)+1.0d+0) 715 t46 = 5.477644184000001d-2*t5+1.0d+0 716 t47 = 1/rhoa**2 717 t48 = 2.18090908507141d-3*t16*t17*t24 718 t49 = 6.21814d-2*t15*t24**2/t13**2 719 t50 = 1/rhoa**1.6666666666666669d+0 720 t51 = 1/t2**5 721 t52 = -6.21814d-2*t15*t17*(-1.425125466450768d+0*t18*t2*(7.0 722 1 16926042943222d-1*t3*(1.4618595922798375d-2*t19*t51*t9+1. 723 2 949146123039784d-2*t20*t50*t9+9.432533847640683d-4/rhoa** 724 3 2.3333333333333334d+0)+1.4618595922798375d-2*t10*t19*t51+ 725 4 1.949146123039784d-2*t10*t20*t50-1.1694876738238703d-1*t2 726 5 0*t21*t22)-3.9586818512521327d-2*t12*t3*t50-2.37520911075 727 6 12796d-1*t18*t21*t23*t3+2.850250932901536d+0*t2*t23**2/t1 728 7 1**3-9.896704628130328d-3*t12*t19*t20) 729 t53 = t52+t49+t48+8.443450000000001d-3*t45*t46*t47+t44 730 t54 = 1/t31**2 731 t55 = -6.218138173930978d-2*rhoa*t38**2*t54 732 t56 = 6.218138173930978d-2*t38 733 t57 = rhoa**3.333333333333335d-1 734 t58 = 2.2072575680231782d-1*gammaaa*t30*t40*t57 735 t59 = 1/rhoa**8.333333333333333d-1 736 t60 = -1.0510750323919903d-2*gammaaa*t30*t34*t59 737 t61 = 2.5225800777407753d-1*gammaaa*t33*t34*t35*t37 738 t62 = 1/t29**3 739 t63 = 2.1622114952063787d-1*gammaaa*t37**2*t62*t8 740 t64 = 2.2072575680231782d-1*gammaaa*t28*t40*t57 741 t65 = -1.0510750323919903d-2*gammaaa*t28*t34*t59 742 t66 = -8.113618601517993d+0*gammaaa*t25*t26*t33*t34*t36 743 t67 = t25**2 744 t68 = 1/t27**3 745 t69 = exp(4.0000011746725284d+0*t14*t15) 746 t70 = 1/rhoa 747 t71 = t52+t49+t48-8.44345d-3*t45*t46*t47+t44 748 t72 = 1/t7**5.0d+0 749 t73 = (t32*(6.218138173930978d-2*rhoa*(-1.0811057476031893d- 750 1 1*gammaaa*t35*t8*(8.693162787340707d-1*t25*t26*t36*t8-3.1 751 2 53225097175969d-2*t28*t33*t34)-2.7027643690079733d-2*t35* 752 3 t37*t8+3.408969776043566d-3*gammaaa*t28*t33*t35*t72+5.843 753 4 948187503255d-3*gammaaa*t28*t37*t40*t62-3.153225097175969 754 5 d-2*t30*t33*t34)+3.109069086965489d-2*t41)-6.218138173930 755 6 978d-2*rhoa*t38*t41*t54)*wght 756 t74 = 1/t7**6.0d+0 757 t75 = 6.218138173930978d-2*rhoa*t32*(1.5794814935512527d-4*g 758 1 ammaaa*t36*t62*t74-1.4609870468758138d-3*t28*t35*t40)*wgh 759 2 t-6.218138173930978d-2*rhoa*t41**2*t54*wght 760 fnc(iq) = (6.218138173930978d-2*rhoa*log(1.0811057476031892d 761 1 -1*gammaaa*t8/(1.0811057476031892d-1*gammaaa*t8/(exp(2.00 762 2 00005873362642d+0*t4*t6)-1.0d+0)+1.0d+0)+1.0d+0)-1.243628 763 3 d-1*rhoa*t4*t6)*wght+fnc(iq) 764 Amat(iq,D1_RA) = (3.109069086965489d-2*t39+6.218138173930978 765 1 d-2*rhoa*t32*t38+2.0d+0*rhoa*t25-6.21814d-2*t14*t15)*wght 766 2 +Amat(iq,D1_RA) 767 Cmat(iq,D1_GAA) = 6.218138173930978d-2*rhoa*t32*t41*wght+Cma 768 1 t(iq,D1_GAA) 769 Cmat(iq,D1_GAB) = 6.218138173930978d-2*rhoa*t32*t42*wght+Cma 770 1 t(iq,D1_GAB) 771 Amat2(iq,D2_RA_RA) = (t32*(6.218138173930978d-2*rhoa*(-1.081 772 1 1057476031893d-1*gammaaa*t35*t8*(2.236852908489184d+2*gam 773 2 maaa*t67*t68*t69*t8-1.118426454244592d+2*gammaaa*t26*t36* 774 3 t67*t8-1.0811057476031893d-1*gammaaa*t26*t36*(3.333334312 775 4 2271053d-1*t14*t15*t47-3.216396844291483d+1*t53)*t8+1.201 776 5 2286084479878d-2*gammaaa*t28*t47*t8+t66+t65+t64)+1.201228 777 6 6084479878d-2*gammaaa*t30*t47*t8+t63+t61+t60+t58)+t56)-1. 778 7 0363563623218294d-2*t39*t70+t55+2.0d+0*rhoa*t53+t43)*wght 779 8 +Amat2(iq,D2_RA_RA) 780 Amat2(iq,D2_RA_RB) = (t32*(6.218138173930978d-2*rhoa*(-1.081 781 1 1057476031893d-1*gammaaa*t35*t8*(-1.0811057476031893d-1*g 782 2 ammaaa*t26*t36*(-3.216396844291483d+1*t71-3.3333343122271 783 3 064d-1*t14*t15*t47)*t8+2.2368529084891842d+2*gammaaa*t67* 784 4 t68*t69*t8-1.1184264542445921d+2*gammaaa*t26*t36*t67*t8-1 785 5 .201228608447988d-2*gammaaa*t28*t47*t8+t66+t65+t64)-1.201 786 6 228608447988d-2*gammaaa*t30*t47*t8+t63+t61+t60+t58)+t56)+ 787 7 2.0d+0*rhoa*t71+1.0363563623218296d-2*t39*t70+t55+t43)*wg 788 8 ht+Amat2(iq,D2_RA_RB) 789 Cmat2(iq,D2_RA_GAA) = t73+Cmat2(iq,D2_RA_GAA) 790 Cmat2(iq,D2_RA_GAB) = (t32*(6.218138173930978d-2*rhoa*(-1.08 791 1 11057476031893d-1*gammaaa*t35*t8*(1.7386325574681413d+0*t 792 2 25*t26*t36*t8-6.306450194351938d-2*t28*t33*t34)-5.4055287 793 3 38015947d-2*t35*t37*t8+6.817939552087132d-3*gammaaa*t28*t 794 4 33*t35*t72+1.168789637500651d-2*gammaaa*t28*t37*t40*t62-6 795 5 .306450194351938d-2*t30*t33*t34)+3.109069086965489d-2*t42 796 6 )-6.218138173930978d-2*rhoa*t38*t42*t54)*wght+Cmat2(iq,D2 797 7 _RA_GAB) 798 Cmat2(iq,D2_RA_GBB) = t73+Cmat2(iq,D2_RA_GBB) 799 Cmat2(iq,D2_GAA_GAA) = t75+Cmat2(iq,D2_GAA_GAA) 800 Cmat2(iq,D2_GAA_GAB) = 6.218138173930978d-2*rhoa*t32*(3.1589 801 1 629871025054d-4*gammaaa*t36*t62*t74-2.9219740937516275d-3 802 2 *t28*t35*t40)*wght-6.218138173930978d-2*rhoa*t41*t42*t54* 803 3 wght+Cmat2(iq,D2_GAA_GAB) 804 Cmat2(iq,D2_GAA_GBB) = t75+Cmat2(iq,D2_GAA_GBB) 805 Cmat2(iq,D2_GAB_GAB) = 6.218138173930978d-2*rhoa*t32*(6.3179 806 1 25974205011d-4*gammaaa*t36*t62*t74-5.843948187503255d-3*t 807 2 28*t35*t40)*wght-6.218138173930978d-2*rhoa*t42**2*t54*wgh 808 3 t+Cmat2(iq,D2_GAB_GAB) 809 endif ! rhoa.gt.tol_rho 810 else ! ipol.eq.1 811 rhoa = rho(iq,R_A) 812 rhob = rho(iq,R_B) 813 gammaaa = rgamma(iq,G_AA) 814 gammaab = rgamma(iq,G_AB) 815 gammabb = rgamma(iq,G_BB) 816 if (rhoa.gt.tol_rho.and.rhob.gt.tol_rho) then 817 t1 = rhob+rhoa 818 t2 = t1**3.333333333333333d-1 819 t3 = 1/t2 820 t4 = 1.325688999052018d-1*t3+1.0d+0 821 t5 = t2**5.0d-1 822 t6 = 1/t5 823 t7 = 2.4141993114533214d-2*t6+1.0186556948d-1 824 t8 = 7.876233178997433d-1*t6*t7+2.2308199064d-1 825 t9 = 7.876233178997433d-1*t6*t8+4.7231125998d-1 826 t10 = 1/t9 827 t11 = 1.269642451250142d+0*t10*t5+1.0d+0 828 t12 = log(t11) 829 t13 = rhoa-rhob 830 t14 = 1/t1 831 t15 = 1.0d+0-t13*t14 832 t16 = t15**1.3333333333333333d+0 833 t17 = t13*t14+1.0d+0 834 t18 = t17**1.3333333333333333d+0 835 t19 = 1.923661050931536d+0*t18+1.923661050931536d+0*t16-3.84 836 1 7322101863072d+0 837 t20 = 6.901399211255826d-2*t3+1.0d+0 838 t21 = 1.3212998810398843d-2*t6+2.9729725188d-2 839 t22 = 7.876233178997433d-1*t21*t6+1.2236585478d-1 840 t23 = 7.876233178997433d-1*t22*t6+3.497952466d-1 841 t24 = 1/t23 842 t25 = 1.269642451250142d+0*t24*t5+1.0d+0 843 t26 = log(t25) 844 t27 = t13**4 845 t28 = 1/t1**4 846 t29 = 1.2746961887000874d-1*t3+1.0d+0 847 t30 = 1.530901310039024d-2*t6+1.0465751434d-1 848 t31 = 7.876233178997433d-1*t30*t6+1.9269083139d-1 849 t32 = 7.876233178997433d-1*t31*t6+4.3896648423d-1 850 t33 = 1/t32 851 t34 = 1.269642451250142d+0*t33*t5+1.0d+0 852 t35 = log(t34) 853 t36 = 1.709920934161365d+0*(6.21814d-2*t12*t4-3.10907d-2*t29 854 1 *t35)-3.37738d-2*t20*t26 855 t37 = t27*t28*t36+3.37738d-2*t20*t26 856 t38 = 5.848223622634648d-1*t19*t37-6.21814d-2*t12*t4 857 t39 = t15**6.666666666666666d-1 858 t40 = t17**6.666666666666666d-1 859 t41 = 5.0d-1*t40+5.0d-1*t39 860 t42 = t41**3.0d+0 861 t43 = gammabb+2.0d+0*gammaab+gammaaa 862 t44 = t1**1.1666666666666667d+0 863 t45 = 1/t44**2.0d+0 864 t46 = t41**2.0d+0 865 t47 = 1/t46 866 t48 = 1/t42 867 t49 = exp(-3.216396844291483d+1*t38*t48) 868 t50 = t49-1.0d+0 869 t51 = 1/t50 870 t52 = 1.3621078885675922d-1*t43*t45*t47*t51+1.0d+0 871 t53 = 1/t52 872 t54 = 1.3621078885675922d-1*t43*t45*t47*t53+1.0d+0 873 t55 = log(t54) 874 t56 = 1/t1**1.3333333333333336d+0 875 t57 = 1/t1**6.666666666666667d-1 876 t58 = 1/t5**3 877 t59 = -1.3127055298329054d-1*t57*t58*t7-3.169132786263567d-3 878 1 *t56 879 t60 = 7.876233178997433d-1*t59*t6-1.3127055298329054d-1*t57* 880 1 t58*t8 881 t61 = 1/t9**2 882 t62 = 2.11607075208357d-1*t10*t57*t6-1.269642451250142d+0*t5 883 1 *t60*t61 884 t63 = 1/t11 885 t64 = -6.21814d-2*t4*t62*t63 886 t65 = 1/t1**1.3333333333333333d+0 887 t66 = 2.747773264188438d-3*t12*t65 888 t67 = -1.3127055298329054d-1*t21*t57*t58-1.7344776604086162d 889 1 -3*t56 890 t68 = 7.876233178997433d-1*t6*t67-1.3127055298329054d-1*t22* 891 1 t57*t58 892 t69 = 1/t23**2 893 t70 = 2.11607075208357d-1*t24*t57*t6-1.269642451250142d+0*t5 894 1 *t68*t69 895 t71 = 1/t25 896 t72 = 3.37738d-2*t20*t70*t71 897 t73 = -7.769549222703733d-4*t26*t65 898 t74 = -1.3127055298329054d-1*t30*t57*t58-2.0096226153166658d 899 1 -3*t56 900 t75 = 7.876233178997433d-1*t6*t74-1.3127055298329054d-1*t31* 901 1 t57*t58 902 t76 = 1/t32**2 903 t77 = 2.11607075208357d-1*t33*t57*t6-1.269642451250142d+0*t5 904 1 *t75*t76 905 t78 = 1/t34 906 t79 = 1.709920934161365d+0*(-3.10907d-2*t29*t77*t78+1.321039 907 1 8931339265d-3*t35*t65-2.747773264188438d-3*t12*t65+6.2181 908 2 4d-2*t4*t62*t63)-3.37738d-2*t20*t70*t71+7.769549222703733 909 3 d-4*t26*t65 910 t80 = t27*t28*t79 911 t81 = 1/t1**5 912 t82 = -4*t27*t36*t81 913 t83 = t13**3 914 t84 = 4*t28*t36*t83+t82+t80+t73+t72 915 t85 = 1/t1**2 916 t86 = t13*t85 917 t87 = -t14 918 t88 = t87+t86 919 t89 = t15**3.333333333333333d-1 920 t90 = -t13*t85 921 t91 = t90+t14 922 t92 = t17**3.333333333333333d-1 923 t93 = 2.564881401242048d+0*t91*t92+2.564881401242048d+0*t88* 924 1 t89 925 t94 = 5.848223622634648d-1*t37*t93+5.848223622634648d-1*t19* 926 1 t84+t66+t64 927 t95 = 1.0d+0*t38 928 t96 = 1/t54 929 t97 = 1/t89 930 t98 = 1/t92 931 t99 = 3.333333333333333d-1*t91*t98+3.333333333333333d-1*t88* 932 1 t97 933 t100 = t1**1.6666666666666674d-1 934 t101 = 1/t44**3.0d+0 935 t102 = -3.1782517399910487d-1*t100*t101*t43*t47*t53 936 t103 = 1/t52**2 937 t104 = -3.1782517399910487d-1*t100*t101*t43*t47*t51 938 t105 = 1/t50**2 939 t106 = 1/t41**4.0d+0 940 t107 = 9.649190532874448d+1*t106*t38*t99-3.216396844291483d+ 941 1 1*t48*t94 942 t108 = -2.7242157771351844d-1*t43*t45*t48*t51*t99-1.36210788 943 1 85675922d-1*t105*t107*t43*t45*t47*t49+t104 944 t109 = -2.7242157771351844d-1*t43*t45*t48*t53*t99-1.36210788 945 1 85675922d-1*t103*t108*t43*t45*t47+t102 946 t110 = 3.109069086965489d-2*t42*t55 947 t111 = -4*t28*t36*t83+t82+t80+t73+t72 948 t112 = t86+t14 949 t113 = t90+t87 950 t114 = 2.564881401242048d+0*t113*t92+2.564881401242048d+0*t1 951 1 12*t89 952 t115 = t66+t64+5.848223622634648d-1*t114*t37+5.8482236226346 953 1 48d-1*t111*t19 954 t116 = 3.333333333333333d-1*t113*t98+3.333333333333333d-1*t1 955 1 12*t97 956 t117 = 9.649190532874448d+1*t106*t116*t38-3.216396844291483d 957 1 +1*t115*t48 958 t118 = -2.7242157771351844d-1*t116*t43*t45*t48*t51-1.3621078 959 1 885675922d-1*t105*t117*t43*t45*t47*t49+t104 960 t119 = -2.7242157771351844d-1*t116*t43*t45*t48*t53-1.3621078 961 1 885675922d-1*t103*t118*t43*t45*t47+t102 962 t120 = 1/t44**4.0d+0 963 t121 = 1.3621078885675922d-1*t45*t47*t53-1.855337900098064d- 964 1 2*t103*t106*t120*t43*t51 965 t122 = 3.109069086965489d-2*t1*t121*t42*t96*wght 966 t123 = 2.7242157771351844d-1*t45*t47*t53-3.710675800196128d- 967 1 2*t103*t106*t120*t43*t51 968 t124 = t62**2 969 t125 = 1/t11**2 970 t126 = 6.21814d-2*t124*t125*t4 971 t127 = 1/t1**2.3333333333333334d+0 972 t128 = 1/t5**5 973 t129 = 1/t1**1.6666666666666669d+0 974 t130 = 2.539284902500284d+0*t5*t60**2/t9**3-1.26964245125014 975 1 2d+0*t5*t61*(8.751370198886037d-2*t129*t58*t8+6.563527649 976 2 164527d-2*t128*t56*t8+7.876233178997433d-1*t6*(8.75137019 977 3 8886037d-2*t129*t58*t7+6.563527649164527d-2*t128*t56*t7+4 978 4 .753699179395351d-3*t127)-2.625411059665811d-1*t57*t58*t5 979 5 9)-4.23214150416714d-1*t57*t6*t60*t61-1.4107138347223802d 980 6 -1*t10*t129*t6-3.52678458680595d-2*t10*t56*t58 981 t131 = -6.21814d-2*t130*t4*t63 982 t132 = 5.495546528376876d-3*t62*t63*t65 983 t133 = 1/t1**2.333333333333333d+0 984 t134 = -3.663697685584584d-3*t12*t133 985 t135 = t70**2 986 t136 = 1/t25**2 987 t137 = -3.37738d-2*t135*t136*t20 988 t138 = -4.23214150416714d-1*t57*t6*t68*t69-1.269642451250142 989 1 d+0*t5*(-2.625411059665811d-1*t57*t58*t67+7.8762331789974 990 2 33d-1*(8.751370198886037d-2*t129*t21*t58+6.56352764916452 991 3 7d-2*t128*t21*t56+2.601716490612924d-3*t127)*t6+8.7513701 992 4 98886037d-2*t129*t22*t58+6.563527649164527d-2*t128*t22*t5 993 5 6)*t69+2.539284902500284d+0*t5*t68**2/t23**3-1.4107138347 994 6 223802d-1*t129*t24*t6-3.52678458680595d-2*t24*t56*t58 995 t139 = 3.37738d-2*t138*t20*t71 996 t140 = -1.5539098445407465d-3*t65*t70*t71 997 t141 = 1.0359398963604977d-3*t133*t26 998 t142 = t27*t28*(1.709920934161365d+0*(2.642079786267853d-3*t 999 1 65*t77*t78-3.10907d-2*t29*(-4.23214150416714d-1*t57*t6*t7 1000 2 5*t76-1.269642451250142d+0*t5*(-2.625411059665811d-1*t57* 1001 3 t58*t74+7.876233178997433d-1*(8.751370198886037d-2*t129*t 1002 4 30*t58+6.563527649164527d-2*t128*t30*t56+3.01443392297499 1003 5 83d-3*t127)*t6+8.751370198886037d-2*t129*t31*t58+6.563527 1004 6 649164527d-2*t128*t31*t56)*t76+2.539284902500284d+0*t5*t7 1005 7 5**2/t32**3-1.4107138347223802d-1*t129*t33*t6-3.526784586 1006 8 80595d-2*t33*t56*t58)*t78+3.10907d-2*t29*t77**2/t34**2-5. 1007 9 495546528376876d-3*t62*t63*t65+6.21814d-2*t130*t4*t63-6.2 1008 : 1814d-2*t124*t125*t4-1.7613865241785687d-3*t133*t35+3.663 1009 ; 697685584584d-3*t12*t133)+1.5539098445407465d-3*t65*t70*t 1010 < 71-3.37738d-2*t138*t20*t71-1.0359398963604977d-3*t133*t26 1011 = +3.37738d-2*t135*t136*t20) 1012 t143 = -8*t27*t79*t81 1013 t144 = 20*t27*t36/t1**6 1014 t145 = t13**2 1015 t146 = 12*t145*t28*t36 1016 t147 = t88**2 1017 t148 = 1/t39 1018 t149 = 1/t1**3 1019 t150 = -2*t13*t149 1020 t151 = 2*t85 1021 t152 = t151+t150 1022 t153 = t91**2 1023 t154 = 1/t40 1024 t155 = 2*t13*t149 1025 t156 = -2*t85 1026 t157 = t156+t155 1027 t158 = 1.1696447245269297d+0*t84*t93+5.848223622634648d-1*t3 1028 1 7*(2.564881401242048d+0*t157*t92+2.564881401242048d+0*t15 1029 2 2*t89+8.549604670806825d-1*t153*t154+8.549604670806825d-1 1030 3 *t147*t148)+5.848223622634648d-1*t19*(-32*t36*t81*t83+8*t 1031 4 28*t79*t83+t146+t144+t143+t142+t141+t140+t139+t137)+t134+ 1032 5 t132+t131+t126 1033 t159 = t99**2 1034 t160 = 1/t16 1035 t161 = 1/t18 1036 t162 = 3.333333333333333d-1*t157*t98+3.333333333333333d-1*t1 1037 1 52*t97-1.111111111111111d-1*t153*t161-1.111111111111111d- 1038 2 1*t147*t160 1039 t163 = t1**3.333333333333335d-1 1040 t164 = 1.1123881089968671d+0*t120*t163*t43*t47*t53 1041 t165 = 1/t1**8.333333333333333d-1 1042 t166 = -5.297086233318417d-2*t101*t165*t43*t47*t53 1043 t167 = 1.1123881089968671d+0*t120*t163*t43*t47*t51 1044 t168 = -5.297086233318417d-2*t101*t165*t43*t47*t51 1045 t169 = 1/t41**5.0d+0 1046 t170 = exp(-6.432793688582966d+1*t38*t48) 1047 t171 = 1/t50**3 1048 t172 = t107**2 1049 t173 = 1/t52**3 1050 t174 = 1/t54**2 1051 t175 = 5.848223622634648d-1*t111*t93+5.848223622634648d-1*t3 1052 1 7*(5.129762802484096d+0*t13*t149*t92+8.549604670806825d-1 1053 2 *t113*t154*t91-5.129762802484096d+0*t13*t149*t89+8.549604 1054 3 670806825d-1*t112*t148*t88)+5.848223622634648d-1*t114*t84 1055 4 +5.848223622634648d-1*t19*(-12*t145*t28*t36+t144+t143+t14 1056 5 2+t141+t140+t139+t137)+t134+t132+t131+t126 1057 t176 = 6.666666666666666d-1*t13*t149*t98-6.666666666666666d- 1058 1 1*t13*t149*t97-1.111111111111111d-1*t113*t161*t91-1.11111 1059 2 1111111111d-1*t112*t160*t88 1060 t177 = t112**2 1061 t178 = t156+t150 1062 t179 = t113**2 1063 t180 = t155+t151 1064 t181 = 5.848223622634648d-1*t37*(2.564881401242048d+0*t180*t 1065 1 92+2.564881401242048d+0*t178*t89+8.549604670806825d-1*t15 1066 2 4*t179+8.549604670806825d-1*t148*t177)+5.848223622634648d 1067 3 -1*t19*(32*t36*t81*t83-8*t28*t79*t83+t146+t144+t143+t142+ 1068 4 t141+t140+t139+t137)+t134+t132+t131+t126+1.16964472452692 1069 5 97d+0*t111*t114 1070 t182 = t116**2 1071 t183 = 3.333333333333333d-1*t180*t98+3.333333333333333d-1*t1 1072 1 78*t97-1.111111111111111d-1*t161*t179-1.111111111111111d- 1073 2 1*t160*t177 1074 t184 = t117**2 1075 t185 = 3.109069086965489d-2*t121*t42 1076 t186 = -3.1782517399910487d-1*t100*t101*t47*t53 1077 t187 = 1/t44**5.0d+0 1078 t188 = 4.3291217668954834d-2*t100*t103*t106*t187*t43*t51 1079 t189 = -3.1782517399910487d-1*t100*t101*t47*t51 1080 t190 = (t96*(3.109069086965489d-2*t1*t42*(-1.362107888567592 1081 1 2d-1*t103*t43*t45*t47*(-2.7242157771351844d-1*t45*t48*t51 1082 2 *t99-1.3621078885675922d-1*t105*t107*t45*t47*t49+t189)-2. 1083 3 7242157771351844d-1*t45*t48*t53*t99+3.710675800196128d-2* 1084 4 t103*t120*t169*t43*t51*t99+3.710675800196128d-2*t106*t108 1085 5 *t120*t173*t43*t51-1.3621078885675922d-1*t103*t108*t45*t4 1086 6 7+t188+t186)+9.327207260896466d-2*t1*t121*t46*t99+t185)-3 1087 7 .109069086965489d-2*t1*t109*t121*t174*t42)*wght 1088 t191 = 3.109069086965489d-2*t123*t42 1089 t192 = -6.356503479982097d-1*t100*t101*t47*t53 1090 t193 = 8.658243533790967d-2*t100*t103*t106*t187*t43*t51 1091 t194 = -6.356503479982097d-1*t100*t101*t47*t51 1092 t195 = ((3.109069086965489d-2*t1*t42*(-2.7242157771351844d-1 1093 1 *t116*t45*t48*t53-1.3621078885675922d-1*t103*t43*t45*t47* 1094 2 (-2.7242157771351844d-1*t116*t45*t48*t51-1.36210788856759 1095 3 22d-1*t105*t117*t45*t47*t49+t189)+3.710675800196128d-2*t1 1096 4 06*t118*t120*t173*t43*t51+3.710675800196128d-2*t103*t116* 1097 5 t120*t169*t43*t51-1.3621078885675922d-1*t103*t118*t45*t47 1098 6 +t188+t186)+9.327207260896466d-2*t1*t116*t121*t46+t185)*t 1099 7 96-3.109069086965489d-2*t1*t119*t121*t174*t42)*wght 1100 t196 = 1/t44**6.0d+0 1101 t197 = 1/t41**6.0d+0 1102 t198 = 3.109069086965489d-2*t1*t42*(5.054340779364009d-3*t10 1103 1 5*t173*t196*t197*t43-3.710675800196128d-2*t103*t106*t120* 1104 2 t51)*t96*wght-3.109069086965489d-2*t1*t121**2*t174*t42*wg 1105 3 ht 1106 t199 = 3.109069086965489d-2*t1*t42*(1.0108681558728018d-2*t1 1107 1 05*t173*t196*t197*t43-7.421351600392256d-2*t103*t106*t120 1108 2 *t51)*t96*wght-3.109069086965489d-2*t1*t121*t123*t174*t42 1109 3 *wght 1110 fnc(iq) = (3.109069086965489d-2*t1*t42*t55+1.0d+0*t1*t38)*wg 1111 1 ht+fnc(iq) 1112 Amat(iq,D1_RA) = (9.327207260896466d-2*t1*t46*t55*t99+3.1090 1113 1 69086965489d-2*t1*t109*t42*t96+t95+1.0d+0*t1*t94+t110)*wg 1114 2 ht+Amat(iq,D1_RA) 1115 Amat(iq,D1_RB) = (3.109069086965489d-2*t1*t119*t42*t96+t95+9 1116 1 .327207260896466d-2*t1*t116*t46*t55+1.0d+0*t1*t115+t110)* 1117 2 wght+Amat(iq,D1_RB) 1118 Cmat(iq,D1_GAA) = t122+Cmat(iq,D1_GAA) 1119 Cmat(iq,D1_GAB) = 3.109069086965489d-2*t1*t123*t42*t96*wght+ 1120 1 Cmat(iq,D1_GAB) 1121 Cmat(iq,D1_GBB) = t122+Cmat(iq,D1_GBB) 1122 Amat2(iq,D2_RA_RA) = (t96*(3.109069086965489d-2*t1*t42*(-1.3 1123 1 621078885675922d-1*t103*t43*t45*t47*(-1.3621078885675922d 1124 2 -1*t105*t43*t45*t47*t49*(1.9298381065748896d+2*t106*t94*t 1125 3 99-3.216396844291483d+1*t158*t48-3.859676213149779d+2*t15 1126 4 9*t169*t38+9.649190532874448d+1*t106*t162*t38)+1.27130069 1127 5 59964196d+0*t100*t101*t43*t48*t51*t99+5.448431554270369d- 1128 6 1*t105*t107*t43*t45*t48*t49*t99-2.7242157771351844d-1*t16 1129 7 2*t43*t45*t48*t51+8.172647331405554d-1*t106*t159*t43*t45* 1130 8 t51-1.3621078885675922d-1*t105*t172*t43*t45*t47*t49+6.356 1131 9 503479982097d-1*t100*t101*t105*t107*t43*t47*t49+2.7242157 1132 : 771351844d-1*t170*t171*t172*t43*t45*t47+t168+t167)+1.2713 1133 ; 006959964196d+0*t100*t101*t43*t48*t53*t99+5.4484315542703 1134 < 69d-1*t103*t108*t43*t45*t48*t99-2.7242157771351844d-1*t16 1135 = 2*t43*t45*t48*t53+8.172647331405554d-1*t106*t159*t43*t45* 1136 > t53+2.7242157771351844d-1*t108**2*t173*t43*t45*t47+6.3565 1137 ? 03479982097d-1*t100*t101*t103*t108*t43*t47+t166+t164)+1.8 1138 @ 654414521792934d-1*t1*t109*t46*t99+6.218138173930978d-2*t 1139 1 109*t42)+1.8654414521792934d-1*t46*t55*t99+2.0d+0*t94+9.3 1140 2 27207260896466d-2*t1*t162*t46*t55+1.8654414521792934d-1*t 1141 3 1*t159*t41*t55-3.109069086965489d-2*t1*t109**2*t174*t42+1 1142 4 .0d+0*t1*t158)*wght+Amat2(iq,D2_RA_RA) 1143 Amat2(iq,D2_RA_RB) = (t96*(3.109069086965489d-2*t1*t42*(-1.3 1144 1 621078885675922d-1*t103*t43*t45*t47*(-1.3621078885675922d 1145 2 -1*t105*t43*t45*t47*t49*(-3.859676213149779d+2*t116*t169* 1146 3 t38*t99+9.649190532874448d+1*t106*t115*t99+9.649190532874 1147 4 448d+1*t106*t116*t94-3.216396844291483d+1*t175*t48+9.6491 1148 5 90532874448d+1*t106*t176*t38)+6.356503479982097d-1*t100*t 1149 6 101*t43*t48*t51*t99+8.172647331405554d-1*t106*t116*t43*t4 1150 7 5*t51*t99+2.7242157771351844d-1*t105*t117*t43*t45*t48*t49 1151 8 *t99-2.7242157771351844d-1*t176*t43*t45*t48*t51+6.3565034 1152 9 79982097d-1*t100*t101*t116*t43*t48*t51+2.7242157771351844 1153 : d-1*t105*t107*t116*t43*t45*t48*t49-1.3621078885675922d-1* 1154 ; t105*t107*t117*t43*t45*t47*t49+3.1782517399910487d-1*t100 1155 < *t101*t105*t117*t43*t47*t49+3.1782517399910487d-1*t100*t1 1156 = 01*t105*t107*t43*t47*t49+2.7242157771351844d-1*t107*t117* 1157 > t170*t171*t43*t45*t47+t168+t167)+6.356503479982097d-1*t10 1158 ? 0*t101*t43*t48*t53*t99+8.172647331405554d-1*t106*t116*t43 1159 @ *t45*t53*t99+2.7242157771351844d-1*t103*t118*t43*t45*t48* 1160 1 t99-2.7242157771351844d-1*t176*t43*t45*t48*t53+6.35650347 1161 2 9982097d-1*t100*t101*t116*t43*t48*t53+2.7242157771351844d 1162 3 -1*t103*t108*t116*t43*t45*t48+2.7242157771351844d-1*t108* 1163 4 t118*t173*t43*t45*t47+3.1782517399910487d-1*t100*t101*t10 1164 5 3*t118*t43*t47+3.1782517399910487d-1*t100*t101*t103*t108* 1165 6 t43*t47+t166+t164)+9.327207260896466d-2*t1*t119*t46*t99+9 1166 7 .327207260896466d-2*t1*t109*t116*t46+3.109069086965489d-2 1167 8 *t119*t42+3.109069086965489d-2*t109*t42)+9.32720726089646 1168 9 6d-2*t46*t55*t99+1.8654414521792934d-1*t1*t116*t41*t55*t9 1169 : 9+1.0d+0*t94+9.327207260896466d-2*t1*t176*t46*t55+9.32720 1170 ; 7260896466d-2*t116*t46*t55-3.109069086965489d-2*t1*t109*t 1171 < 119*t174*t42+1.0d+0*t1*t175+1.0d+0*t115)*wght+Amat2(iq,D2 1172 = _RA_RB) 1173 Amat2(iq,D2_RB_RB) = ((3.109069086965489d-2*t1*t42*(-2.72421 1174 1 57771351844d-1*t183*t43*t45*t48*t53+1.2713006959964196d+0 1175 2 *t100*t101*t116*t43*t48*t53+8.172647331405554d-1*t106*t18 1176 3 2*t43*t45*t53-1.3621078885675922d-1*t103*t43*t45*t47*(-2. 1177 4 7242157771351844d-1*t183*t43*t45*t48*t51+1.27130069599641 1178 5 96d+0*t100*t101*t116*t43*t48*t51+8.172647331405554d-1*t10 1179 6 6*t182*t43*t45*t51-1.3621078885675922d-1*t105*t43*t45*t47 1180 7 *(-3.216396844291483d+1*t181*t48+9.649190532874448d+1*t10 1181 8 6*t183*t38-3.859676213149779d+2*t169*t182*t38+1.929838106 1182 9 5748896d+2*t106*t115*t116)*t49+5.448431554270369d-1*t105* 1183 : t116*t117*t43*t45*t48*t49-1.3621078885675922d-1*t105*t184 1184 ; *t43*t45*t47*t49+6.356503479982097d-1*t100*t101*t105*t117 1185 < *t43*t47*t49+2.7242157771351844d-1*t170*t171*t184*t43*t45 1186 = *t47+t168+t167)+5.448431554270369d-1*t103*t116*t118*t43*t 1187 > 45*t48+2.7242157771351844d-1*t118**2*t173*t43*t45*t47+6.3 1188 ? 56503479982097d-1*t100*t101*t103*t118*t43*t47+t166+t164)+ 1189 @ 1.8654414521792934d-1*t1*t116*t119*t46+6.218138173930978d 1190 1 -2*t119*t42)*t96+9.327207260896466d-2*t1*t183*t46*t55+1.8 1191 2 654414521792934d-1*t116*t46*t55+1.8654414521792934d-1*t1* 1192 3 t182*t41*t55-3.109069086965489d-2*t1*t119**2*t174*t42+1.0 1193 4 d+0*t1*t181+2.0d+0*t115)*wght+Amat2(iq,D2_RB_RB) 1194 Cmat2(iq,D2_RA_GAA) = t190+Cmat2(iq,D2_RA_GAA) 1195 Cmat2(iq,D2_RA_GAB) = (t96*(3.109069086965489d-2*t1*t42*(-1. 1196 1 3621078885675922d-1*t103*t43*t45*t47*(-5.448431554270369d 1197 2 -1*t45*t48*t51*t99-2.7242157771351844d-1*t105*t107*t45*t4 1198 3 7*t49+t194)-5.448431554270369d-1*t45*t48*t53*t99+7.421351 1199 4 600392256d-2*t103*t120*t169*t43*t51*t99+7.421351600392256 1200 5 d-2*t106*t108*t120*t173*t43*t51-2.7242157771351844d-1*t10 1201 6 3*t108*t45*t47+t193+t192)+9.327207260896466d-2*t1*t123*t4 1202 7 6*t99+t191)-3.109069086965489d-2*t1*t109*t123*t174*t42)*w 1203 8 ght+Cmat2(iq,D2_RA_GAB) 1204 Cmat2(iq,D2_RA_GBB) = t190+Cmat2(iq,D2_RA_GBB) 1205 Cmat2(iq,D2_RB_GAA) = t195+Cmat2(iq,D2_RB_GAA) 1206 Cmat2(iq,D2_RB_GAB) = ((3.109069086965489d-2*t1*t42*(-5.4484 1207 1 31554270369d-1*t116*t45*t48*t53-1.3621078885675922d-1*t10 1208 2 3*t43*t45*t47*(-5.448431554270369d-1*t116*t45*t48*t51-2.7 1209 3 242157771351844d-1*t105*t117*t45*t47*t49+t194)+7.42135160 1210 4 0392256d-2*t106*t118*t120*t173*t43*t51+7.421351600392256d 1211 5 -2*t103*t116*t120*t169*t43*t51-2.7242157771351844d-1*t103 1212 6 *t118*t45*t47+t193+t192)+9.327207260896466d-2*t1*t116*t12 1213 7 3*t46+t191)*t96-3.109069086965489d-2*t1*t119*t123*t174*t4 1214 8 2)*wght+Cmat2(iq,D2_RB_GAB) 1215 Cmat2(iq,D2_RB_GBB) = t195+Cmat2(iq,D2_RB_GBB) 1216 Cmat2(iq,D2_GAA_GAA) = t198+Cmat2(iq,D2_GAA_GAA) 1217 Cmat2(iq,D2_GAA_GAB) = t199+Cmat2(iq,D2_GAA_GAB) 1218 Cmat2(iq,D2_GAA_GBB) = t198+Cmat2(iq,D2_GAA_GBB) 1219 Cmat2(iq,D2_GAB_GAB) = 3.109069086965489d-2*t1*t42*(2.021736 1220 1 3117456036d-2*t105*t173*t196*t197*t43-1.4842703200784513d 1221 2 -1*t103*t106*t120*t51)*t96*wght-3.109069086965489d-2*t1*t 1222 3 123**2*t174*t42*wght+Cmat2(iq,D2_GAB_GAB) 1223 Cmat2(iq,D2_GAB_GBB) = t199+Cmat2(iq,D2_GAB_GBB) 1224 Cmat2(iq,D2_GBB_GBB) = t198+Cmat2(iq,D2_GBB_GBB) 1225 elseif (rhoa.gt.tol_rho.and.rhob.le.tol_rho) then 1226 t1 = rhoa**3.333333333333333d-1 1227 t2 = t1**5.0d-1 1228 t3 = 1/t2 1229 t4 = 1.530901310039024d-2*t3+1.0465751434d-1 1230 t5 = 7.876233178997433d-1*t3*t4+1.9269083139d-1 1231 t6 = 7.876233178997433d-1*t3*t5+4.3896648423d-1 1232 t7 = 1/t6 1233 t8 = 1.269642451250142d+0*t2*t7+1.0d+0 1234 t9 = log(t8) 1235 t10 = 1/t1 1236 t11 = 1.2746961887000874d-1*t10+1.0d+0 1237 t12 = 2.4141993114533214d-2*t3+1.0186556948d-1 1238 t13 = 7.876233178997433d-1*t12*t3+2.2308199064d-1 1239 t14 = 7.876233178997433d-1*t13*t3+4.7231125998d-1 1240 t15 = 1/t14 1241 t16 = 1.269642451250142d+0*t15*t2+1.0d+0 1242 t17 = log(t16) 1243 t18 = 1.325688999052018d-1*t10+1.0d+0 1244 t19 = 1.3212998810398843d-2*t3+2.9729725188d-2 1245 t20 = 7.876233178997433d-1*t19*t3+1.2236585478d-1 1246 t21 = 7.876233178997433d-1*t20*t3+3.497952466d-1 1247 t22 = 1/t21 1248 t23 = 1.269642451250142d+0*t2*t22+1.0d+0 1249 t24 = log(t23) 1250 t25 = 6.901399211255826d-2*t10+1.0d+0 1251 t26 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(6. 1252 1 21814d-2*t17*t18-3.10907d-2*t11*t9)-3.37738d-2*t24*t25)+3 1253 2 .37738d-2*t24*t25)-6.21814d-2*t17*t18 1254 t27 = rhoa**1.1666666666666667d+0 1255 t28 = 1/t27**2.0d+0 1256 t29 = exp(-6.432793688582967d+1*t26) 1257 t30 = t29-1.0d+0 1258 t31 = 1/t30 1259 t32 = 2.1622114952063792d-1*gammaaa*t28*t31+1.0d+0 1260 t33 = 1/t32 1261 t34 = 2.1622114952063792d-1*gammaaa*t28*t33+1.0d+0 1262 t35 = log(t34) 1263 t36 = 1/rhoa**1.3333333333333333d+0 1264 t37 = 1/t8 1265 t38 = 1/t6**2 1266 t39 = 1/rhoa**1.3333333333333336d+0 1267 t40 = 1/t2**3 1268 t41 = 1/rhoa**6.666666666666667d-1 1269 t42 = -1.3127055298329054d-1*t4*t40*t41-2.0096226153166658d- 1270 1 3*t39 1271 t43 = 7.876233178997433d-1*t3*t42-1.3127055298329054d-1*t40* 1272 1 t41*t5 1273 t44 = 2.11607075208357d-1*t3*t41*t7-1.269642451250142d+0*t2* 1274 1 t38*t43 1275 t45 = 1/t16 1276 t46 = 1/t14**2 1277 t47 = -1.3127055298329054d-1*t12*t40*t41-3.169132786263567d- 1278 1 3*t39 1279 t48 = 7.876233178997433d-1*t3*t47-1.3127055298329054d-1*t13* 1280 1 t40*t41 1281 t49 = 2.11607075208357d-1*t15*t3*t41-1.269642451250142d+0*t2 1282 1 *t46*t48 1283 t50 = 1/t23 1284 t51 = 1/t21**2 1285 t52 = -1.3127055298329054d-1*t19*t40*t41-1.7344776604086162d 1286 1 -3*t39 1287 t53 = 7.876233178997433d-1*t3*t52-1.3127055298329054d-1*t20* 1288 1 t40*t41 1289 t54 = 2.11607075208357d-1*t22*t3*t41-1.269642451250142d+0*t2 1290 1 *t51*t53 1291 t55 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(1. 1292 1 3210398931339265d-3*t36*t9+6.21814d-2*t18*t45*t49-3.10907 1293 2 d-2*t11*t37*t44-2.747773264188438d-3*t17*t36)-3.37738d-2* 1294 3 t25*t50*t54+7.769549222703733d-4*t24*t36)+3.37738d-2*t25* 1295 4 t50*t54-7.769549222703733d-4*t24*t36)-6.21814d-2*t18*t45* 1296 5 t49+2.747773264188438d-3*t17*t36 1297 t56 = 1/t34 1298 t57 = rhoa**1.6666666666666674d-1 1299 t58 = 1/t27**3.0d+0 1300 t59 = 1/t32**2 1301 t60 = 1/t30**2 1302 t61 = 1.3909060459745137d+1*gammaaa*t28*t29*t55*t60-5.045160 1303 1 155481552d-1*gammaaa*t31*t57*t58 1304 t62 = -2.1622114952063792d-1*gammaaa*t28*t59*t61-5.045160155 1305 1 481552d-1*gammaaa*t33*t57*t58 1306 t63 = 1/t27**4.0d+0 1307 t64 = 2.1622114952063792d-1*t28*t33-4.675158550002606d-2*gam 1308 1 maaa*t31*t59*t63 1309 t65 = 1/rhoa**2.333333333333333d+0 1310 t66 = 1/rhoa**2.3333333333333334d+0 1311 t67 = 1/rhoa**1.6666666666666669d+0 1312 t68 = 1/t2**5 1313 t69 = 1/t16**2 1314 t70 = t49**2 1315 t71 = -1.269642451250142d+0*t2*t46*(7.876233178997433d-1*t3* 1316 1 (6.563527649164527d-2*t12*t39*t68+8.751370198886037d-2*t1 1317 2 2*t40*t67+4.753699179395351d-3*t66)+6.563527649164527d-2* 1318 3 t13*t39*t68+8.751370198886037d-2*t13*t40*t67-2.6254110596 1319 4 65811d-1*t40*t41*t47)-1.4107138347223802d-1*t15*t3*t67+2. 1320 5 539284902500284d+0*t2*t48**2/t14**3-4.23214150416714d-1*t 1321 6 3*t41*t46*t48-3.52678458680595d-2*t15*t39*t40 1322 t72 = 1/t23**2 1323 t73 = t54**2 1324 t74 = -1.269642451250142d+0*t2*t51*(7.876233178997433d-1*t3* 1325 1 (6.563527649164527d-2*t19*t39*t68+8.751370198886037d-2*t1 1326 2 9*t40*t67+2.601716490612924d-3*t66)+6.563527649164527d-2* 1327 3 t20*t39*t68+8.751370198886037d-2*t20*t40*t67-2.6254110596 1328 4 65811d-1*t40*t41*t52)-1.4107138347223802d-1*t22*t3*t67+2. 1329 5 539284902500284d+0*t2*t53**2/t21**3-4.23214150416714d-1*t 1330 6 3*t41*t51*t53-3.52678458680595d-2*t22*t39*t40 1331 t75 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(-1 1332 1 .7613865241785687d-3*t65*t9+3.10907d-2*t11*t44**2/t8**2+6 1333 2 .21814d-2*t18*t45*t71-6.21814d-2*t18*t69*t70-3.10907d-2*t 1334 3 11*t37*(-1.4107138347223802d-1*t3*t67*t7-3.52678458680595 1335 4 d-2*t39*t40*t7-1.269642451250142d+0*t2*t38*(7.87623317899 1336 5 7433d-1*t3*(6.563527649164527d-2*t39*t4*t68+8.75137019888 1337 6 6037d-2*t4*t40*t67+3.0144339229749983d-3*t66)+6.563527649 1338 7 164527d-2*t39*t5*t68+8.751370198886037d-2*t40*t5*t67-2.62 1339 8 5411059665811d-1*t40*t41*t42)+2.539284902500284d+0*t2*t43 1340 9 **2/t6**3-4.23214150416714d-1*t3*t38*t41*t43)+3.663697685 1341 : 584584d-3*t17*t65-5.495546528376876d-3*t36*t45*t49+2.6420 1342 ; 79786267853d-3*t36*t37*t44)-3.37738d-2*t25*t50*t74+3.3773 1343 < 8d-2*t25*t72*t73-1.0359398963604977d-3*t24*t65+1.55390984 1344 = 45407465d-3*t36*t50*t54)+3.37738d-2*t25*t50*t74-3.37738d- 1345 > 2*t25*t72*t73+1.0359398963604977d-3*t24*t65-1.55390984454 1346 ? 07465d-3*t36*t50*t54)-6.21814d-2*t18*t45*t71+6.21814d-2*t 1347 @ 18*t69*t70-3.663697685584584d-3*t17*t65+5.495546528376876 1348 1 d-3*t36*t45*t49 1349 t76 = rhoa**3.333333333333335d-1 1350 t77 = 1/rhoa**8.333333333333333d-1 1351 t78 = t55**2 1352 t79 = 1/t32**3 1353 t80 = 1/t34**2 1354 fnc(iq) = (1.5545345434827443d-2*rhoa*t35+1.0d+0*rhoa*t26)*w 1355 1 ght+fnc(iq) 1356 Amat(iq,D1_RA) = (1.5545345434827443d-2*rhoa*t56*t62+1.0d+0* 1357 1 rhoa*t55+1.5545345434827443d-2*t35+1.0d+0*t26)*wght+Amat( 1358 2 iq,D1_RA) 1359 Cmat(iq,D1_GAA) = 1.5545345434827443d-2*rhoa*t56*t64*wght+Cm 1360 1 at(iq,D1_GAA) 1361 Amat2(iq,D2_RA_RA) = (-1.5545345434827443d-2*rhoa*t62**2*t80 1362 1 +t56*(1.5545345434827443d-2*rhoa*(4.3244229904127585d-1*g 1363 2 ammaaa*t28*t61**2*t79-2.1622114952063792d-1*gammaaa*t28*t 1364 3 59*(-8.947411633956742d+2*gammaaa*t28*t29*t60*t78+1.78948 1365 4 23267913484d+3*gammaaa*exp(-1.2865587377165935d+2*t26)*t2 1366 5 8*t78/t30**3-8.408600259135923d-2*gammaaa*t31*t58*t77+1.7 1367 6 65806054418543d+0*gammaaa*t31*t63*t76+1.3909060459745137d 1368 7 +1*gammaaa*t28*t29*t60*t75-6.490894881214397d+1*gammaaa*t 1369 8 29*t55*t57*t58*t60)-8.408600259135923d-2*gammaaa*t33*t58* 1370 9 t77+1.765806054418543d+0*gammaaa*t33*t63*t76+1.0090320310 1371 : 963104d+0*gammaaa*t57*t58*t59*t61)+3.1090690869654886d-2* 1372 ; t62)+1.0d+0*rhoa*t75+2.0d+0*t55)*wght+Amat2(iq,D2_RA_RA) 1373 Cmat2(iq,D2_RA_GAA) = (t56*(1.5545345434827443d-2*rhoa*(9.35 1374 1 0317100005212d-2*gammaaa*t31*t61*t63*t79-2.16221149520637 1375 2 92d-1*t28*t59*t61-2.1622114952063792d-1*gammaaa*t28*t59*( 1376 3 1.3909060459745137d+1*t28*t29*t55*t60-5.045160155481552d- 1377 4 1*t31*t57*t58)+1.0908703283339415d-1*gammaaa*t31*t57*t59/ 1378 5 t27**5.0d+0-5.045160155481552d-1*t33*t57*t58)+1.554534543 1379 6 4827443d-2*t64)-1.5545345434827443d-2*rhoa*t62*t64*t80)*w 1380 7 ght+Cmat2(iq,D2_RA_GAA) 1381 Cmat2(iq,D2_GAA_GAA) = -1.5545345434827443d-2*rhoa*t64**2*t8 1382 1 0*wght+1.5545345434827443d-2*rhoa*t56*(2.0217363117456047 1383 2 d-2*gammaaa*t60*t79/t27**6.0d+0-9.350317100005212d-2*t31* 1384 3 t59*t63)*wght+Cmat2(iq,D2_GAA_GAA) 1385 elseif (rhoa.le.tol_rho.and.rhob.gt.tol_rho) then 1386 t1 = rhob**3.333333333333333d-1 1387 t2 = t1**5.0d-1 1388 t3 = 1/t2 1389 t4 = 1.530901310039024d-2*t3+1.0465751434d-1 1390 t5 = 7.876233178997433d-1*t3*t4+1.9269083139d-1 1391 t6 = 7.876233178997433d-1*t3*t5+4.3896648423d-1 1392 t7 = 1/t6 1393 t8 = 1.269642451250142d+0*t2*t7+1.0d+0 1394 t9 = log(t8) 1395 t10 = 1/t1 1396 t11 = 1.2746961887000874d-1*t10+1.0d+0 1397 t12 = 2.4141993114533214d-2*t3+1.0186556948d-1 1398 t13 = 7.876233178997433d-1*t12*t3+2.2308199064d-1 1399 t14 = 7.876233178997433d-1*t13*t3+4.7231125998d-1 1400 t15 = 1/t14 1401 t16 = 1.269642451250142d+0*t15*t2+1.0d+0 1402 t17 = log(t16) 1403 t18 = 1.325688999052018d-1*t10+1.0d+0 1404 t19 = 1.3212998810398843d-2*t3+2.9729725188d-2 1405 t20 = 7.876233178997433d-1*t19*t3+1.2236585478d-1 1406 t21 = 7.876233178997433d-1*t20*t3+3.497952466d-1 1407 t22 = 1/t21 1408 t23 = 1.269642451250142d+0*t2*t22+1.0d+0 1409 t24 = log(t23) 1410 t25 = 6.901399211255826d-2*t10+1.0d+0 1411 t26 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(6. 1412 1 21814d-2*t17*t18-3.10907d-2*t11*t9)-3.37738d-2*t24*t25)+3 1413 2 .37738d-2*t24*t25)-6.21814d-2*t17*t18 1414 t27 = rhob**1.1666666666666667d+0 1415 t28 = 1/t27**2.0d+0 1416 t29 = exp(-6.432793688582967d+1*t26) 1417 t30 = t29-1.0d+0 1418 t31 = 1/t30 1419 t32 = 2.1622114952063792d-1*gammabb*t28*t31+1.0d+0 1420 t33 = 1/t32 1421 t34 = 2.1622114952063792d-1*gammabb*t28*t33+1.0d+0 1422 t35 = log(t34) 1423 t36 = 1/rhob**1.3333333333333333d+0 1424 t37 = 1/t8 1425 t38 = 1/t6**2 1426 t39 = 1/rhob**1.3333333333333336d+0 1427 t40 = 1/t2**3 1428 t41 = 1/rhob**6.666666666666667d-1 1429 t42 = -1.3127055298329054d-1*t4*t40*t41-2.0096226153166658d- 1430 1 3*t39 1431 t43 = 7.876233178997433d-1*t3*t42-1.3127055298329054d-1*t40* 1432 1 t41*t5 1433 t44 = 2.11607075208357d-1*t3*t41*t7-1.269642451250142d+0*t2* 1434 1 t38*t43 1435 t45 = 1/t16 1436 t46 = 1/t14**2 1437 t47 = -1.3127055298329054d-1*t12*t40*t41-3.169132786263567d- 1438 1 3*t39 1439 t48 = 7.876233178997433d-1*t3*t47-1.3127055298329054d-1*t13* 1440 1 t40*t41 1441 t49 = 2.11607075208357d-1*t15*t3*t41-1.269642451250142d+0*t2 1442 1 *t46*t48 1443 t50 = 1/t23 1444 t51 = 1/t21**2 1445 t52 = -1.3127055298329054d-1*t19*t40*t41-1.7344776604086162d 1446 1 -3*t39 1447 t53 = 7.876233178997433d-1*t3*t52-1.3127055298329054d-1*t20* 1448 1 t40*t41 1449 t54 = 2.11607075208357d-1*t22*t3*t41-1.269642451250142d+0*t2 1450 1 *t51*t53 1451 t55 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(1. 1452 1 3210398931339265d-3*t36*t9+6.21814d-2*t18*t45*t49-3.10907 1453 2 d-2*t11*t37*t44-2.747773264188438d-3*t17*t36)-3.37738d-2* 1454 3 t25*t50*t54+7.769549222703733d-4*t24*t36)+3.37738d-2*t25* 1455 4 t50*t54-7.769549222703733d-4*t24*t36)-6.21814d-2*t18*t45* 1456 5 t49+2.747773264188438d-3*t17*t36 1457 t56 = 1/t34 1458 t57 = rhob**1.6666666666666674d-1 1459 t58 = 1/t27**3.0d+0 1460 t59 = 1/t32**2 1461 t60 = 1/t30**2 1462 t61 = 1.3909060459745137d+1*gammabb*t28*t29*t55*t60-5.045160 1463 1 155481552d-1*gammabb*t31*t57*t58 1464 t62 = -2.1622114952063792d-1*gammabb*t28*t59*t61-5.045160155 1465 1 481552d-1*gammabb*t33*t57*t58 1466 t63 = 1/t27**4.0d+0 1467 t64 = 2.1622114952063792d-1*t28*t33-4.675158550002606d-2*gam 1468 1 mabb*t31*t59*t63 1469 t65 = 1/rhob**2.333333333333333d+0 1470 t66 = 1/rhob**2.3333333333333334d+0 1471 t67 = 1/rhob**1.6666666666666669d+0 1472 t68 = 1/t2**5 1473 t69 = 1/t16**2 1474 t70 = t49**2 1475 t71 = -1.269642451250142d+0*t2*t46*(7.876233178997433d-1*t3* 1476 1 (6.563527649164527d-2*t12*t39*t68+8.751370198886037d-2*t1 1477 2 2*t40*t67+4.753699179395351d-3*t66)+6.563527649164527d-2* 1478 3 t13*t39*t68+8.751370198886037d-2*t13*t40*t67-2.6254110596 1479 4 65811d-1*t40*t41*t47)-1.4107138347223802d-1*t15*t3*t67+2. 1480 5 539284902500284d+0*t2*t48**2/t14**3-4.23214150416714d-1*t 1481 6 3*t41*t46*t48-3.52678458680595d-2*t15*t39*t40 1482 t72 = 1/t23**2 1483 t73 = t54**2 1484 t74 = -1.269642451250142d+0*t2*t51*(7.876233178997433d-1*t3* 1485 1 (6.563527649164527d-2*t19*t39*t68+8.751370198886037d-2*t1 1486 2 9*t40*t67+2.601716490612924d-3*t66)+6.563527649164527d-2* 1487 3 t20*t39*t68+8.751370198886037d-2*t20*t40*t67-2.6254110596 1488 4 65811d-1*t40*t41*t52)-1.4107138347223802d-1*t22*t3*t67+2. 1489 5 539284902500284d+0*t2*t53**2/t21**3-4.23214150416714d-1*t 1490 6 3*t41*t51*t53-3.52678458680595d-2*t22*t39*t40 1491 t75 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(-1 1492 1 .7613865241785687d-3*t65*t9+3.10907d-2*t11*t44**2/t8**2+6 1493 2 .21814d-2*t18*t45*t71-6.21814d-2*t18*t69*t70-3.10907d-2*t 1494 3 11*t37*(-1.4107138347223802d-1*t3*t67*t7-3.52678458680595 1495 4 d-2*t39*t40*t7-1.269642451250142d+0*t2*t38*(7.87623317899 1496 5 7433d-1*t3*(6.563527649164527d-2*t39*t4*t68+8.75137019888 1497 6 6037d-2*t4*t40*t67+3.0144339229749983d-3*t66)+6.563527649 1498 7 164527d-2*t39*t5*t68+8.751370198886037d-2*t40*t5*t67-2.62 1499 8 5411059665811d-1*t40*t41*t42)+2.539284902500284d+0*t2*t43 1500 9 **2/t6**3-4.23214150416714d-1*t3*t38*t41*t43)+3.663697685 1501 : 584584d-3*t17*t65-5.495546528376876d-3*t36*t45*t49+2.6420 1502 ; 79786267853d-3*t36*t37*t44)-3.37738d-2*t25*t50*t74+3.3773 1503 < 8d-2*t25*t72*t73-1.0359398963604977d-3*t24*t65+1.55390984 1504 = 45407465d-3*t36*t50*t54)+3.37738d-2*t25*t50*t74-3.37738d- 1505 > 2*t25*t72*t73+1.0359398963604977d-3*t24*t65-1.55390984454 1506 ? 07465d-3*t36*t50*t54)-6.21814d-2*t18*t45*t71+6.21814d-2*t 1507 @ 18*t69*t70-3.663697685584584d-3*t17*t65+5.495546528376876 1508 1 d-3*t36*t45*t49 1509 t76 = rhob**3.333333333333335d-1 1510 t77 = 1/rhob**8.333333333333333d-1 1511 t78 = t55**2 1512 t79 = 1/t32**3 1513 t80 = 1/t34**2 1514 fnc(iq) = (1.5545345434827443d-2*rhob*t35+1.0d+0*rhob*t26)*w 1515 1 ght+fnc(iq) 1516 Amat(iq,D1_RB) = (1.5545345434827443d-2*rhob*t56*t62+1.0d+0* 1517 1 rhob*t55+1.5545345434827443d-2*t35+1.0d+0*t26)*wght+Amat( 1518 2 iq,D1_RB) 1519 Cmat(iq,D1_GBB) = 1.5545345434827443d-2*rhob*t56*t64*wght+Cm 1520 1 at(iq,D1_GBB) 1521 Amat2(iq,D2_RB_RB) = (-1.5545345434827443d-2*rhob*t62**2*t80 1522 1 +t56*(1.5545345434827443d-2*rhob*(4.3244229904127585d-1*g 1523 2 ammabb*t28*t61**2*t79-2.1622114952063792d-1*gammabb*t28*t 1524 3 59*(-8.947411633956742d+2*gammabb*t28*t29*t60*t78+1.78948 1525 4 23267913484d+3*gammabb*exp(-1.2865587377165935d+2*t26)*t2 1526 5 8*t78/t30**3-8.408600259135923d-2*gammabb*t31*t58*t77+1.7 1527 6 65806054418543d+0*gammabb*t31*t63*t76+1.3909060459745137d 1528 7 +1*gammabb*t28*t29*t60*t75-6.490894881214397d+1*gammabb*t 1529 8 29*t55*t57*t58*t60)-8.408600259135923d-2*gammabb*t33*t58* 1530 9 t77+1.765806054418543d+0*gammabb*t33*t63*t76+1.0090320310 1531 : 963104d+0*gammabb*t57*t58*t59*t61)+3.1090690869654886d-2* 1532 ; t62)+1.0d+0*rhob*t75+2.0d+0*t55)*wght+Amat2(iq,D2_RB_RB) 1533 Cmat2(iq,D2_RB_GBB) = (t56*(1.5545345434827443d-2*rhob*(9.35 1534 1 0317100005212d-2*gammabb*t31*t61*t63*t79-2.16221149520637 1535 2 92d-1*t28*t59*t61-2.1622114952063792d-1*gammabb*t28*t59*( 1536 3 1.3909060459745137d+1*t28*t29*t55*t60-5.045160155481552d- 1537 4 1*t31*t57*t58)+1.0908703283339415d-1*gammabb*t31*t57*t59/ 1538 5 t27**5.0d+0-5.045160155481552d-1*t33*t57*t58)+1.554534543 1539 6 4827443d-2*t64)-1.5545345434827443d-2*rhob*t62*t64*t80)*w 1540 7 ght+Cmat2(iq,D2_RB_GBB) 1541 Cmat2(iq,D2_GBB_GBB) = -1.5545345434827443d-2*rhob*t64**2*t8 1542 1 0*wght+1.5545345434827443d-2*rhob*t56*(2.0217363117456047 1543 2 d-2*gammabb*t60*t79/t27**6.0d+0-9.350317100005212d-2*t31* 1544 3 t59*t63)*wght+Cmat2(iq,D2_GBB_GBB) 1545 endif ! rhoa.gt.tol_rho.and.rhob.gt.tol_rho 1546 endif ! ipol.eq.1 1547 enddo ! iq 1548 end 1549C> 1550C> \brief Evaluate the nwxcm_c_spbe functional [1] 1551C> 1552C> \f{eqnarray*}{ 1553C> {\it t_1} &=& \rho_\beta+\rho_\alpha\\\\ 1554C> {\it t_2} &=& {\it t_1}^{0.3333333333333333}\\\\ 1555C> {\it t_3} &=& {{1}\over{{\it t_2}}}\\\\ 1556C> {\it t_4} &=& 0.1325688999052018\,{\it t_3}+1.0\\\\ 1557C> {\it t_5} &=& \sqrt{{\it t_2}}\\\\ 1558C> {\it t_6} &=& {{1}\over{{\it t_5}}}\\\\ 1559C> {\it t_7} &=& \log \left({{1.269642451250142\,{\it t_5}} 1560C> \over{0.7876233178997433\,{\it t_6}\,\left(0.7876233178997433 1561C> \,{\it t_6}\,\left(0.02414199311453321\,{\it t_6} 1562C> +0.10186556948\right)+0.22308199064\right)+0.47231125998}} 1563C> +1.0\right)\\\\ 1564C> {\it t_8} &=& \rho_\alpha-\rho_\beta\\\\ 1565C> {\it t_9} &=& {{1}\over{{\it t_1}}}\\\\ 1566C> {\it t_{10}} &=& 1.0-{\it t_8}\,{\it t_9}\\\\ 1567C> {\it t_{11}} &=& {\it t_8}\,{\it t_9}+1.0\\\\ 1568C> {\it t_{12}} &=& 0.06901399211255826\,{\it t_3}+1.0\\\\ 1569C> {\it t_{13}} &=& \log \left({{1.269642451250142\,{ 1570C> \it t_5}}\over{0.7876233178997433\,{\it t_6}\, 1571C> \left(0.7876233178997433\,{\it t_6}\,\left(0.01321299881039884 1572C> \,{\it t_6}+0.029729725188\right)+0.12236585478\right) 1573C> +0.3497952466}}+1.0\right)\\\\ 1574C> {\it t_{14}} &=& 0.5848223622634648\,\left(1.923661050931536 1575C> \,{\it t_{11}}^{{{4}\over{3}}}+1.923661050931536\,{ 1576C> \it t_{10}}^{{{4}\over{3}}}-3.847322101863072\right)\, 1577C> \left({{{\it t_8}^4\,\left(1.709920934161365\,\left(0.0621814 1578C> \,{\it t_4}\,{\it t_7}-0.0310907\,\left(0.1274696188700087 1579C> \,{\it t_3}+1.0\right)\,\log \left({{1.269642451250142\,{ 1580C> \it t_5}}\over{0.7876233178997433\,{\it t_6}\, 1581C> \left(0.7876233178997433\,{\it t_6}\,\left(0.01530901310039024 1582C> \,{\it t_6}+0.10465751434\right)+0.19269083139\right) 1583C> +0.43896648423}}+1.0\right)\right)-0.0337738\,{\it t_{12}} 1584C> \,{\it t_{13}}\right)}\over{{\it t_1}^4}}+0.0337738\,{ 1585C> \it t_{12}}\,{\it t_{13}}\right)-0.0621814\,{\it t_4}\,{ 1586C> \it t_7}\\\\ 1587C> {\it t_{15}} &=& 0.5\,{\it t_{11}}^{{{2}\over{3}}}+0.5\,{ 1588C> \it t_{10}}^{{{2}\over{3}}}\\\\ 1589C> {\it t_{16}} &=& {\it t_{15}}^{3.0}\\\\ 1590C> {\it t_{17}} &=& {{1}\over{\left({ 1591C> \it t_1}^{1.166666666666667}\right)^{2.0}}}\\\\ 1592C> {\it t_{18}} &=& {{1}\over{{\it t_{15}}^{2.0}}}\\\\ 1593C> {\it t_{19}} &=& \sigma_{\beta\beta}+2.0\,\sigma_{\alpha\beta} 1594C> +\sigma_{\alpha\alpha}\\\\ 1595C> {\it t_{20}} &=& \rho_s^{0.3333333333333333}\\\\ 1596C> {\it t_{21}} &=& \sqrt{{\it t_{20}}}\\\\ 1597C> {\it t_{22}} &=& {{1}\over{{\it t_{21}}}}\\\\ 1598C> {\it t_{23}} &=& {{1}\over{{\it t_{20}}}}\\\\ 1599C> {\it t_{24}} &=& \log \left({{1.269642451250142\,{ 1600C> \it t_{21}}}\over{0.7876233178997433\,\left(0.7876233178997433 1601C> \,\left(0.02414199311453321\,{\it t_{22}}+0.10186556948\right) 1602C> \,{\it t_{22}}+0.22308199064\right)\,{\it t_{22}} 1603C> +0.47231125998}}+1.0\right)\\\\ 1604C> {\it t_{25}} &=& 0.1325688999052018\,{\it t_{23}}+1.0\\\\ 1605C> {\it t_{26}} &=& \log \left({{1.269642451250142\,{ 1606C> \it t_{21}}}\over{0.7876233178997433\,\left(0.7876233178997433 1607C> \,\left(0.01321299881039884\,{\it t_{22}} 1608C> +0.029729725188\right)\,{\it t_{22}}+0.12236585478\right)\,{ 1609C> \it t_{22}}+0.3497952466}}+1.0\right)\\\\ 1610C> {\it t_{27}} &=& 0.06901399211255826\,{\it t_{23}}+1.0\\\\ 1611C> {\it t_{28}} &=& 0.5848223622634643\,\left(0.0337738\,{ 1612C> \it t_{26}}\,{\it t_{27}}+1.0\,\left(1.709920934161365\, 1613C> \left(0.0621814\,{\it t_{24}}\,{\it t_{25}}-0.0310907 1614C> \,\log \left({{1.269642451250142\,{\it t_{21}}} 1615C> \over{0.7876233178997433\,\left(0.7876233178997433\, 1616C> \left(0.01530901310039024\,{\it t_{22}}+0.10465751434\right) 1617C> \,{\it t_{22}}+0.19269083139\right)\,{\it t_{22}} 1618C> +0.43896648423}}+1.0\right)\,\left(0.1274696188700087\,{ 1619C> \it t_{23}}+1.0\right)\right)-0.0337738\,{\it t_{26}}\,{ 1620C> \it t_{27}}\right)\right)-0.0621814\,{\it t_{24}}\,{ 1621C> \it t_{25}}\\\\ 1622C> {\it t_{29}} &=& {{1}\over{ 1623C> \left(\rho_s^{1.166666666666667}\right)^{2.0}}}\\\\ 1624C> f &=& 0.03109069086965489\,{\it t_1}\,{\it t_{16}}\,\log 1625C> \left({{0.1362107888567592\,{\it t_{17}}\,{\it t_{18}}\,{ 1626C> \it t_{19}}}\over{{{0.1362107888567592\,{\it t_{17}}\,{ 1627C> \it t_{18}}\,{\it t_{19}}}\over{{{1} 1628C> \over{e^{{{32.16396844291483\,{\it t_{14}}}\over{{ 1629C> \it t_{16}}}}}}}-1.0}}+1.0}}+1.0\right)+1.0\,{\it t_1}\,{ 1630C> \it t_{14}}\\\\ 1631C> g &=& 0\\\\ 1632C> G &=& 0.01554534543482744\,\rho_s\,\log 1633C> \left({{0.2162211495206379\,{\it t_{29}}\,\sigma_{ss}} 1634C> \over{{{0.2162211495206379\,{\it t_{29}}\,\sigma_{ss}} 1635C> \over{{{1}\over{e^{64.32793688582967\,{\it t_{28}}}}}-1.0}} 1636C> +1.0}}+1.0\right)+1.0\,{\it t_{28}}\,\rho_s\\\\ 1637C> \f} 1638C> 1639C> Code generated with Maxima 5.34.0 [2] 1640C> driven by autoxc [3]. 1641C> 1642C> ### References ### 1643C> 1644C> [1] M Swart, M Sola, FM Bickelhaupt, J.Chem.Phys. 131 1645C> , 094103 (2009) , DOI: 1646C> <a href="https://doi.org/10.1063/1.3213193 "> 1647C> 10.1063/1.3213193 </a> 1648C> 1649C> [2] Maxima, a computer algebra system, 1650C> <a href="http://maxima.sourceforge.net/"> 1651C> http://maxima.sourceforge.net/</a> 1652C> 1653C> [3] autoxc, revision 27097 2015-05-08 1654C> 1655 subroutine nwxcm_c_spbe_d3(param,tol_rho,ipol,nq,wght, 1656 +rho,rgamma,fnc,Amat,Amat2,Amat3, 1657 +Cmat,Cmat2,Cmat3) 1658c $Id: $ 1659#ifdef NWXC_QUAD_PREC 1660 implicit real(kind=selected_real_kind(30))(a-h,o-z),integer(i-n) 1661 integer, parameter :: rk=selected_real_kind(30) 1662#else 1663 implicit real(kind=selected_real_kind(15))(a-h,o-z),integer(i-n) 1664 integer, parameter :: rk=selected_real_kind(15) 1665#endif 1666#include "nwxc_param.fh" 1667 double precision param(*) !< [Input] Parameters of functional 1668 double precision tol_rho !< [Input] The lower limit on the density 1669 integer ipol !< [Input] The number of spin channels 1670 integer nq !< [Input] The number of points 1671 double precision wght !< [Input] The weight of the functional 1672 double precision rho(nq,*) !< [Input] The density 1673 double precision rgamma(nq,*) !< [Input] The norm of the density 1674 !< gradients 1675 double precision fnc(nq) !< [Output] The value of the functional 1676c 1677c Sampling Matrices for the XC Kernel 1678c 1679 double precision Amat(nq,*) !< [Output] The derivative wrt rho 1680 double precision Cmat(nq,*) !< [Output] The derivative wrt rgamma 1681c 1682c Sampling Matrices for the XC Kernel 1683c 1684 double precision Amat2(nq,*) !< [Output] The 2nd derivative wrt rho 1685 double precision Cmat2(nq,*) !< [Output] The 2nd derivative wrt rgamma 1686 !< and possibly rho 1687c 1688c Sampling Matrices for the XC Kernel 1689c 1690 double precision Amat3(nq,*) !< [Output] The 3rd derivative wrt rho 1691 double precision Cmat3(nq,*) !< [Output] The 3rd derivative wrt rgamma 1692 !< and possibly rho 1693 integer iq 1694 double precision tmp 1695 double precision rhoa,rhob 1696 double precision gammaaa,gammaab,gammabb 1697 double precision taua,taub 1698 double precision nwxcm_heaviside 1699 external nwxcm_heaviside 1700CDIR$ NOVECTOR 1701 do iq = 1, nq 1702 if (ipol.eq.1) then 1703 rhoa = 0.5d0*rho(iq,R_T) 1704 gammaaa = 0.25d0*rgamma(iq,G_TT) 1705 if (rhoa.gt.tol_rho) then 1706 t1 = rhoa**3.333333333333333d-1 1707 t2 = t1**5.0d-1 1708 t3 = 1/t2 1709 t4 = log(1.4251254664507676d+0*t2/(7.016926042943223d-1*t3*( 1710 1 7.016926042943223d-1*(2.150807071909054d-2*t3+1.018655694 1711 2 8d-1)*t3+2.2308199064d-1)+4.7231125998d-1)+1.0d+0) 1712 t5 = 1/t1 1713 t6 = 1.0522000558389215d-1*t5+1.0d+0 1714 t7 = rhoa**1.1666666666666667d+0 1715 t8 = 1/t7**2.0d+0 1716 t9 = 2.1508070719090538d-2*t3+1.0186556948d-1 1717 t10 = 7.016926042943222d-1*t3*t9+2.2308199064d-1 1718 t11 = 7.016926042943222d-1*t10*t3+4.7231125998d-1 1719 t12 = 1/t11 1720 t13 = 1.425125466450768d+0*t12*t2+1.0d+0 1721 t14 = log(t13) 1722 t15 = 1.0522000558389213d-1*t5+1.0d+0 1723 t16 = 1/rhoa**1.3333333333333333d+0 1724 t17 = 1/t13 1725 t18 = 1/t11**2 1726 t19 = 1/rhoa**1.3333333333333336d+0 1727 t20 = 1/t2**3 1728 t21 = 1/rhoa**6.666666666666667d-1 1729 t22 = -5.847438369119352d-2*t20*t21*t9-1.2576711796854242d-3 1730 1 *t19 1731 t23 = 7.016926042943222d-1*t22*t3-5.847438369119352d-2*t10*t 1732 1 20*t21 1733 t24 = 1.1876045553756398d-1*t12*t21*t3-1.425125466450768d+0* 1734 1 t18*t2*t23 1735 t25 = 1.090454542535705d-3*t14*t16-6.21814d-2*t15*t17*t24 1736 t26 = exp(2.0000005873362642d+0*t14*t15) 1737 t27 = t26-1.0d+0 1738 t28 = 1/t27 1739 t29 = 1.0811057476031893d-1*gammaaa*t28*t8+1.0d+0 1740 t30 = 1/t29 1741 t31 = 1.0811057476031893d-1*gammaaa*t30*t8+1.0d+0 1742 t32 = 1/t31 1743 t33 = rhoa**1.6666666666666674d-1 1744 t34 = 1/t7**3.0d+0 1745 t35 = 1/t29**2 1746 t36 = 1/t27**2 1747 t37 = 3.4772651149362827d+0*gammaaa*t25*t26*t36*t8-1.2612900 1748 1 388703877d-1*gammaaa*t28*t33*t34 1749 t38 = -1.0811057476031893d-1*gammaaa*t35*t37*t8-1.2612900388 1750 1 703877d-1*gammaaa*t30*t33*t34 1751 t39 = log(t31) 1752 t40 = 1/t7**4.0d+0 1753 t41 = 2.7027643690079733d-2*t30*t8-2.9219740937516275d-3*gam 1754 1 maaa*t28*t35*t40 1755 t42 = 5.405528738015947d-2*t30*t8-5.843948187503255d-3*gamma 1756 1 aa*t28*t35*t40 1757 t43 = 2.0d+0*t25 1758 t44 = 1/rhoa**2.333333333333333d+0 1759 t45 = -7.269696950238034d-4*t14*t44 1760 t46 = 1.1771443702974158d-2*t3+2.9729725188d-2 1761 t47 = 7.016926042943222d-1*t3*t46+1.2236585478d-1 1762 t48 = 7.016926042943222d-1*t3*t47+3.497952466d-1 1763 t49 = 1/t48 1764 t50 = 1.425125466450768d+0*t2*t49+1.0d+0 1765 t51 = log(t50) 1766 t52 = 5.477644184000001d-2*t5+1.0d+0 1767 t53 = 1/rhoa**2 1768 t54 = 2.18090908507141d-3*t16*t17*t24 1769 t55 = 1/t13**2 1770 t56 = t24**2 1771 t57 = 6.21814d-2*t15*t55*t56 1772 t58 = 1/t11**3 1773 t59 = t23**2 1774 t60 = 1/rhoa**2.3333333333333334d+0 1775 t61 = 1/rhoa**1.6666666666666669d+0 1776 t62 = 1/t2**5 1777 t63 = 1.4618595922798375d-2*t19*t62*t9+1.949146123039784d-2* 1778 1 t20*t61*t9+9.432533847640683d-4*t60 1779 t64 = 7.016926042943222d-1*t3*t63+1.4618595922798375d-2*t10* 1780 1 t19*t62+1.949146123039784d-2*t10*t20*t61-1.16948767382387 1781 2 03d-1*t20*t21*t22 1782 t65 = -1.425125466450768d+0*t18*t2*t64-3.9586818512521327d-2 1783 1 *t12*t3*t61+2.850250932901536d+0*t2*t58*t59-2.37520911075 1784 2 12796d-1*t18*t21*t23*t3-9.896704628130328d-3*t12*t19*t20 1785 t66 = -6.21814d-2*t15*t17*t65 1786 t67 = t66+t57+t54+8.443450000000001d-3*t51*t52*t53+t45 1787 t68 = 1/t31**2 1788 t69 = t38**2 1789 t70 = -6.218138173930978d-2*rhoa*t68*t69 1790 t71 = 6.218138173930978d-2*t38 1791 t72 = rhoa**3.333333333333335d-1 1792 t73 = 2.2072575680231782d-1*gammaaa*t30*t40*t72 1793 t74 = 1/rhoa**8.333333333333333d-1 1794 t75 = -1.0510750323919903d-2*gammaaa*t30*t34*t74 1795 t76 = 2.5225800777407753d-1*gammaaa*t33*t34*t35*t37 1796 t77 = 1/t29**3 1797 t78 = t37**2 1798 t79 = 2.1622114952063787d-1*gammaaa*t77*t78*t8 1799 t80 = 2.2072575680231782d-1*gammaaa*t28*t40*t72 1800 t81 = -1.0510750323919903d-2*gammaaa*t28*t34*t74 1801 t82 = -8.113618601517993d+0*gammaaa*t25*t26*t33*t34*t36 1802 t83 = t25**2 1803 t84 = 3.3333343122271053d-1*t14*t15*t53-3.216396844291483d+1 1804 1 *t67 1805 t85 = 1/t27**3 1806 t86 = exp(4.0000011746725284d+0*t14*t15) 1807 t87 = 2.236852908489184d+2*gammaaa*t8*t83*t85*t86-1.08110574 1808 1 76031893d-1*gammaaa*t26*t36*t8*t84-1.118426454244592d+2*g 1809 2 ammaaa*t26*t36*t8*t83+t82+t81+t80+1.2012286084479878d-2*g 1810 3 ammaaa*t28*t53*t8 1811 t88 = -1.0811057476031893d-1*gammaaa*t35*t8*t87+1.2012286084 1812 1 479878d-2*gammaaa*t30*t53*t8+t79+t76+t75+t73 1813 t89 = 6.218138173930978d-2*rhoa*t88+t71 1814 t90 = 1/rhoa 1815 t91 = t66+t57+t54-8.44345d-3*t51*t52*t53+t45 1816 t92 = -3.216396844291483d+1*t91-3.3333343122271064d-1*t14*t1 1817 1 5*t53 1818 t93 = -1.0811057476031893d-1*gammaaa*t26*t36*t8*t92+2.236852 1819 1 9084891842d+2*gammaaa*t8*t83*t85*t86-1.1184264542445921d+ 1820 2 2*gammaaa*t26*t36*t8*t83+t82+t81+t80-1.201228608447988d-2 1821 3 *gammaaa*t28*t53*t8 1822 t94 = -1.0811057476031893d-1*gammaaa*t35*t8*t93-1.2012286084 1823 1 47988d-2*gammaaa*t30*t53*t8+t79+t76+t75+t73 1824 t95 = 6.218138173930978d-2*rhoa*t94+t71 1825 t96 = 1/t7**5.0d+0 1826 t97 = 8.693162787340707d-1*t25*t26*t36*t8-3.153225097175969d 1827 1 -2*t28*t33*t34 1828 t98 = -1.0811057476031893d-1*gammaaa*t35*t8*t97+3.4089697760 1829 1 43566d-3*gammaaa*t28*t33*t35*t96-2.7027643690079733d-2*t3 1830 2 5*t37*t8+5.843948187503255d-3*gammaaa*t28*t37*t40*t77-3.1 1831 3 53225097175969d-2*t30*t33*t34 1832 t99 = 6.218138173930978d-2*rhoa*t98+3.109069086965489d-2*t41 1833 t100 = (t32*t99-6.218138173930978d-2*rhoa*t38*t41*t68)*wght 1834 t101 = 1.7386325574681413d+0*t25*t26*t36*t8-6.30645019435193 1835 1 8d-2*t28*t33*t34 1836 t102 = 6.817939552087132d-3*gammaaa*t28*t33*t35*t96-5.405528 1837 1 738015947d-2*t35*t37*t8-1.0811057476031893d-1*gammaaa*t10 1838 2 1*t35*t8+1.168789637500651d-2*gammaaa*t28*t37*t40*t77-6.3 1839 3 06450194351938d-2*t30*t33*t34 1840 t103 = 3.109069086965489d-2*t42+6.218138173930978d-2*rhoa*t1 1841 1 02 1842 t104 = t41**2 1843 t105 = 1/t7**6.0d+0 1844 t106 = 1.5794814935512527d-4*gammaaa*t105*t36*t77-1.46098704 1845 1 68758138d-3*t28*t35*t40 1846 t107 = 6.218138173930978d-2*rhoa*t106*t32*wght-6.21813817393 1847 1 0978d-2*rhoa*t104*t68*wght 1848 t108 = 3.1589629871025054d-4*gammaaa*t105*t36*t77-2.92197409 1849 1 37516275d-3*t28*t35*t40 1850 t109 = t42**2 1851 t110 = 6.317925974205011d-4*gammaaa*t105*t36*t77-5.843948187 1852 1 503255d-3*t28*t35*t40 1853 t111 = 8.48131310861104d-4*t14/rhoa**3.333333333333333d+0 1854 t112 = 1/rhoa**3 1855 t113 = -2.1809090850714105d-3*t17*t24*t44 1856 t114 = 3.37738d-2*(1.1876045553756398d-1*t21*t3*t49-1.425125 1857 1 466450768d+0*t2*(7.016926042943222d-1*t3*(-5.847438369119 1858 2 352d-2*t20*t21*t46-6.883279156869946d-4*t19)-5.8474383691 1859 3 19352d-2*t20*t21*t47)/t48**2)*t52/t50-3.083347652359653d- 1860 4 4*t16*t51 1861 t115 = -3.2713636276071156d-3*t16*t55*t56 1862 t116 = 3.2713636276071156d-3*t16*t17*t65 1863 t117 = -1.243628d-1*t15*t24**3/t13**3 1864 t118 = 1.865442d-1*t15*t24*t55*t65 1865 t119 = 1/rhoa**2.666666666666667d+0 1866 t120 = 1/t2**7 1867 t121 = 1/rhoa**2.0d+0 1868 t122 = -6.21814d-2*t15*t17*(-1.425125466450768d+0*t18*t2*(7. 1869 1 016926042943222d-1*t3*(-1.4618595922798375d-2*t60*t62*t9- 1870 2 1.6242884358664864d-2*t119*t20*t9-6.091081634499322d-3*t1 1871 3 20*t121*t9-1.161599075681677d-3/rhoa**3.3333333333333337d 1872 4 +0)-1.7542315107358056d-1*t20*t21*t63-1.4618595922798375d 1873 5 -2*t10*t60*t62+4.385578776839513d-2*t19*t22*t62+5.8474383 1874 6 69119352d-2*t20*t22*t61-1.6242884358664864d-2*t10*t119*t2 1875 7 0-6.091081634499322d-3*t10*t120*t121)+8.550752798704606d+ 1876 8 0*t2*t23*t58*t64-3.5628136661269194d-1*t18*t21*t3*t64+2.4 1877 9 74176157032582d-3*t12*t121*t62+1.1876045553756398d-1*t18* 1878 : t23*t3*t61+9.89670462813033d-3*t12*t20*t60+7.125627332253 1879 ; 839d-1*t21*t3*t58*t59+3.29890154271011d-2*t119*t12*t3-8.5 1880 < 50752798704606d+0*t2*t23**3/t11**4+2.969011388439098d-2*t 1881 = 18*t19*t20*t23) 1882 t123 = 7.500000000000002d-1*t114*t53-2.533035d-2*t112*t51*t5 1883 1 2+t122+t118+t117+t116+t115+t113+t111 1884 t124 = 1/t31**3 1885 t125 = 1.2436276347861956d-1*rhoa*t124*t38**3 1886 t126 = -3.109069086965489d-2*t69 1887 t127 = -t38*t89 1888 t128 = rhoa**5.000000000000002d-1 1889 t129 = -5.150267658720751d-1*gammaaa*t128*t30*t96 1890 t130 = 1/rhoa**6.666666666666665d-1 1891 t131 = 5.518143920057951d-2*gammaaa*t130*t30*t40 1892 t132 = 1/rhoa**1.8333333333333332d+0 1893 t133 = -7.567740233222326d-1*gammaaa*t33*t34*t77*t78 1894 t134 = 1/t29**4 1895 t135 = -6.486634485619136d-1*gammaaa*t134*t37**3*t8 1896 t136 = -5.150267658720751d-1*gammaaa*t128*t28*t96 1897 t137 = 5.518143920057951d-2*gammaaa*t130*t28*t40 1898 t138 = 3.9144925898560723d+2*gammaaa*t26*t33*t34*t36*t83 1899 t139 = t25**3 1900 t140 = 3.597303318004418d+3*gammaaa*t139*t26*t36*t8 1901 t141 = -7.828985179712145d+2*gammaaa*t33*t34*t83*t85*t86 1902 t142 = -2.1583819908026508d+4*gammaaa*t139*t8*t85*t86 1903 t143 = 2.1583819908026508d+4*gammaaa*t139*exp(6.000001762008 1904 1 792d+0*t14*t15)*t8/t27**4 1905 t144 = -2.4999999999999994d-1*t114*t53+8.44345d-3*t112*t51*t 1906 1 52+t122+t118+t117+t116+t115+t113+t111 1907 t145 = 1.2436276347861956d-1*rhoa*t124*t41*t69 1908 t146 = 6.218138173930978d-2*t98 1909 t147 = 5.518143920057945d-2*t30*t40*t72 1910 t148 = -2.6276875809799755d-3*t30*t34*t74 1911 t149 = -5.96569710807624d-3*gammaaa*t105*t28*t35*t72 1912 t150 = 2.840808146702972d-4*gammaaa*t28*t35*t74*t96 1913 t151 = 2.5225800777407753d-1*gammaaa*t33*t34*t35*t97 1914 t152 = 6.306450194351938d-2*t33*t34*t35*t37 1915 t153 = -1.3635879104174264d-2*gammaaa*t28*t33*t37*t77*t96 1916 t154 = 4.3244229904127574d-1*gammaaa*t37*t77*t8*t97 1917 t155 = 5.405528738015947d-2*t77*t78*t8 1918 t156 = -1.7531844562509766d-2*gammaaa*t134*t28*t40*t78 1919 t157 = 5.518143920057945d-2*t28*t40*t72 1920 t158 = -2.6276875809799755d-3*t28*t34*t74 1921 t159 = -2.0284046503794984d+0*t25*t26*t33*t34*t36 1922 t160 = -1.2436276347861956d-1*rhoa*t38*t98 1923 t161 = (t32*(-1.0363563623218294d-2*t41*t90+6.21813817393097 1924 1 8d-2*rhoa*(-2.7027643690079733d-2*t35*t8*t87+5.8439481875 1925 2 03255d-3*gammaaa*t28*t40*t77*t87-1.0811057476031893d-1*ga 1926 3 mmaaa*t35*t8*(5.592132271222959d+1*t8*t83*t85*t86-2.70276 1927 4 43690079733d-2*t26*t36*t8*t84-2.7960661356114797d+1*t26*t 1928 5 36*t8*t83+3.00307152111997d-3*t28*t53*t8+t159+t158+t157)+ 1929 6 3.00307152111997d-3*t30*t53*t8-3.2466378819462516d-4*gamm 1930 7 aaa*t28*t35*t40*t53+t156+t155+t154+t153+t152+t151+t150+t1 1931 8 49+t148+t147)+t146)+t68*(t160-t41*t89)+t145)*wght 1932 t162 = 1.2436276347861956d-1*rhoa*t124*t42*t69 1933 t163 = 6.218138173930978d-2*t102 1934 t164 = 1.1036287840115891d-1*t30*t40*t72 1935 t165 = -5.255375161959951d-3*t30*t34*t74 1936 t166 = -1.1931394216152481d-2*gammaaa*t105*t28*t35*t72 1937 t167 = 5.681616293405944d-4*gammaaa*t28*t35*t74*t96 1938 t168 = 2.5225800777407753d-1*gammaaa*t101*t33*t34*t35 1939 t169 = 1.2612900388703877d-1*t33*t34*t35*t37 1940 t170 = -2.727175820834853d-2*gammaaa*t28*t33*t37*t77*t96 1941 t171 = 4.3244229904127574d-1*gammaaa*t101*t37*t77*t8 1942 t172 = 1.0811057476031893d-1*t77*t78*t8 1943 t173 = -3.506368912501953d-2*gammaaa*t134*t28*t40*t78 1944 t174 = 1.1036287840115891d-1*t28*t40*t72 1945 t175 = -5.255375161959951d-3*t28*t34*t74 1946 t176 = -4.0568093007589967d+0*t25*t26*t33*t34*t36 1947 t177 = -1.2436276347861956d-1*rhoa*t102*t38 1948 t178 = 1/t7**7.0d+0 1949 t179 = -5.405528738015947d-2*t35*t8*t97 1950 t180 = 1.168789637500651d-2*gammaaa*t28*t40*t77*t97 1951 t181 = (t68*(-t41*t99-6.218138173930978d-2*rhoa*t41*t98-6.21 1952 1 8138173930978d-2*rhoa*t106*t38)+t32*(6.218138173930978d-2 1953 2 *rhoa*(1.704484888021783d-3*t28*t33*t35*t96+2.92197409375 1954 3 16275d-3*t28*t37*t40*t77-1.8427284091431279d-4*gammaaa*t1 1955 4 78*t33*t36*t77-4.7384444806537585d-4*gammaaa*t105*t134*t3 1956 5 6*t37+t180+t179)+3.109069086965489d-2*t106)+1.24362763478 1957 6 61956d-1*rhoa*t104*t124*t38)*wght 1958 t182 = 1.2436276347861956d-1*rhoa*t124*t38*t41*t42 1959 t183 = t32*(6.218138173930978d-2*rhoa*(3.408969776043566d-3* 1960 1 t28*t33*t35*t96-2.7027643690079733d-2*t101*t35*t8+5.84394 1961 2 8187503255d-3*t28*t37*t40*t77+5.843948187503255d-3*gammaa 1962 3 a*t101*t28*t40*t77-3.6854568182862557d-4*gammaaa*t178*t33 1963 4 *t36*t77-9.476888961307517d-4*gammaaa*t105*t134*t36*t37+t 1964 5 180+t179)+3.109069086965489d-2*t108) 1965 t184 = -6.218138173930978d-2*rhoa*t108*t38 1966 t185 = 1/t7**8.0d+0 1967 t186 = 6.218138173930978d-2*rhoa*t32*(1.1846111201634398d-4* 1968 1 t105*t36*t77-1.280689890683347d-5*gammaaa*t134*t185*t85)* 1969 2 wght-1.8654414521792934d-1*rhoa*t106*t41*t68*wght+1.24362 1970 3 76347861956d-1*rhoa*t124*t41**3*wght 1971 t187 = t68*(-6.218138173930978d-2*rhoa*t106*t42*wght-1.24362 1972 1 76347861956d-1*rhoa*t108*t41*wght)+6.218138173930978d-2*r 1973 2 hoa*t32*(2.3692222403268795d-4*t105*t36*t77-2.56137978136 1974 3 6694d-5*gammaaa*t134*t185*t85)*wght+1.2436276347861956d-1 1975 4 *rhoa*t104*t124*t42*wght 1976 fnc(iq) = (6.218138173930978d-2*rhoa*log(1.0811057476031892d 1977 1 -1*gammaaa*t8/(1.0811057476031892d-1*gammaaa*t8/(exp(2.00 1978 2 00005873362642d+0*t4*t6)-1.0d+0)+1.0d+0)+1.0d+0)-1.243628 1979 3 d-1*rhoa*t4*t6)*wght+fnc(iq) 1980 Amat(iq,D1_RA) = (3.109069086965489d-2*t39+6.218138173930978 1981 1 d-2*rhoa*t32*t38+2.0d+0*rhoa*t25-6.21814d-2*t14*t15)*wght 1982 2 +Amat(iq,D1_RA) 1983 Cmat(iq,D1_GAA) = 6.218138173930978d-2*rhoa*t32*t41*wght+Cma 1984 1 t(iq,D1_GAA) 1985 Cmat(iq,D1_GAB) = 6.218138173930978d-2*rhoa*t32*t42*wght+Cma 1986 1 t(iq,D1_GAB) 1987 Amat2(iq,D2_RA_RA) = (-1.0363563623218294d-2*t39*t90+t32*t89 1988 1 +t70+2.0d+0*rhoa*t67+t43)*wght+Amat2(iq,D2_RA_RA) 1989 Amat2(iq,D2_RA_RB) = (t32*t95+2.0d+0*rhoa*t91+1.036356362321 1990 1 8296d-2*t39*t90+t70+t43)*wght+Amat2(iq,D2_RA_RB) 1991 Cmat2(iq,D2_RA_GAA) = t100+Cmat2(iq,D2_RA_GAA) 1992 Cmat2(iq,D2_RA_GAB) = (t103*t32-6.218138173930978d-2*rhoa*t3 1993 1 8*t42*t68)*wght+Cmat2(iq,D2_RA_GAB) 1994 Cmat2(iq,D2_RA_GBB) = t100+Cmat2(iq,D2_RA_GBB) 1995 Cmat2(iq,D2_GAA_GAA) = t107+Cmat2(iq,D2_GAA_GAA) 1996 Cmat2(iq,D2_GAA_GAB) = -6.218138173930978d-2*rhoa*t41*t42*t6 1997 1 8*wght+6.218138173930978d-2*rhoa*t108*t32*wght+Cmat2(iq,D 1998 2 2_GAA_GAB) 1999 Cmat2(iq,D2_GAA_GBB) = t107+Cmat2(iq,D2_GAA_GBB) 2000 Cmat2(iq,D2_GAB_GAB) = -6.218138173930978d-2*rhoa*t109*t68*w 2001 1 ght+6.218138173930978d-2*rhoa*t110*t32*wght+Cmat2(iq,D2_G 2002 2 AB_GAB) 2003 Amat3(iq,D3_RA_RA_RA) = (t32*(-3.1090690869654886d-2*t38*t90 2004 1 +9.327207260896466d-2*t88+6.218138173930978d-2*rhoa*(6.48 2005 2 6634485619136d-1*gammaaa*t37*t77*t8*t87+3.783870116611163 2006 3 d-1*gammaaa*t33*t34*t35*t87-1.0811057476031893d-1*gammaaa 2007 4 *t35*t8*(-2.0863590689617695d+1*gammaaa*t25*t8*t84*t85*t8 2008 5 6+1.0431795344808847d+1*gammaaa*t25*t26*t36*t8*t84+3.7838 2009 6 70116611163d-1*gammaaa*t26*t33*t34*t36*t84-1.081105747603 2010 7 1893d-1*gammaaa*t26*t36*(-1.608198422145741d+1*t25*t53-1. 2011 8 0000002936681321d+0*t112*t14*t15-3.216396844291483d+1*t12 2012 9 3)*t8+1.1590883716454273d+0*gammaaa*t25*t26*t36*t53*t8-3. 2013 : 603685825343965d-2*gammaaa*t112*t28*t8-1.0142023251897499 2014 ; d+0*gammaaa*t25*t26*t34*t36*t74+2.1298248828984737d+1*gam 2015 < maaa*t25*t26*t36*t40*t72-3.766352199404629d-2*gammaaa*t13 2016 = 2*t28*t34+t143+t142+t141+t140+t138+t137+t136)-3.603685825 2017 > 3439635d-2*gammaaa*t35*t37*t53*t8-3.603685825343965d-2*ga 2018 ? mmaaa*t112*t30*t8+3.153225097175971d-2*gammaaa*t34*t35*t3 2019 @ 7*t74-6.621772704069536d-1*gammaaa*t35*t37*t40*t72-3.7663 2020 1 52199404629d-2*gammaaa*t132*t30*t34+t135+t133+t131+t129)) 2021 2 +t68*(-1.2436276347861956d-1*rhoa*t38*t88+t127+t126)+3.0d 2022 3 +0*t67+1.554534543482745d-2*t39*t53+t125+2.0d+0*rhoa*t123 2023 4 )*wght+Amat3(iq,D3_RA_RA_RA) 2024 Amat3(iq,D3_RA_RA_RB) = (t68*(-1.2436276347861956d-1*rhoa*t3 2025 1 8*t94+t127+t126)+t32*(6.218138173930978d-2*t94+6.21813817 2026 2 3930978d-2*rhoa*(4.3244229904127574d-1*gammaaa*t37*t77*t8 2027 3 *t93+2.5225800777407753d-1*gammaaa*t33*t34*t35*t93-1.0811 2028 4 057476031893d-1*gammaaa*t35*t8*(-1.3909060459745132d+1*ga 2029 5 mmaaa*t25*t8*t85*t86*t92+6.954530229872565d+0*gammaaa*t25 2030 6 *t26*t36*t8*t92+2.5225800777407753d-1*gammaaa*t26*t33*t34 2031 7 *t36*t92-6.954530229872565d+0*gammaaa*t25*t8*t84*t85*t86+ 2032 8 3.4772651149362827d+0*gammaaa*t25*t26*t36*t8*t84+1.261290 2033 9 0388703877d-1*gammaaa*t26*t33*t34*t36*t84-1.0811057476031 2034 : 893d-1*gammaaa*t26*t36*(5.360661407152473d+0*t25*t53+3.33 2035 ; 3334312227107d-1*t112*t14*t15-3.216396844291483d+1*t144)* 2036 < t8-3.8636279054847583d-1*gammaaa*t25*t26*t36*t53*t8+1.201 2037 = 2286084479884d-2*gammaaa*t112*t28*t8-1.0142023251897496d+ 2038 > 0*gammaaa*t25*t26*t34*t36*t74+2.1298248828984734d+1*gamma 2039 ? aa*t25*t26*t36*t40*t72+1.8393813066859827d-2*gammaaa*t132 2040 @ *t28*t34+t143+t142+t141+t140+t138+t137+t136)+2.1622114952 2041 1 063787d-1*gammaaa*t37*t77*t8*t87+1.2612900388703877d-1*ga 2042 2 mmaaa*t33*t34*t35*t87+1.2012286084479881d-2*gammaaa*t35*t 2043 3 37*t53*t8+1.2012286084479884d-2*gammaaa*t112*t30*t8+3.153 2044 4 2250971759707d-2*gammaaa*t34*t35*t37*t74-6.62177270406953 2045 5 5d-1*gammaaa*t35*t37*t40*t72+1.8393813066859827d-2*gammaa 2046 6 a*t132*t30*t34+t135+t133+t131+t129)+1.0363563623218297d-2 2047 7 *t38*t90+3.109069086965489d-2*t88)+2.0d+0*t91+1.0d+0*t67- 2048 8 5.181781811609151d-3*t39*t53+2.0d+0*rhoa*t144+t125)*wght+ 2049 9 Amat3(iq,D3_RA_RA_RB) 2050 Cmat3(iq,D3_RA_RA_GAA) = t161+Cmat3(iq,D3_RA_RA_GAA) 2051 Cmat3(iq,D3_RA_RA_GAB) = (t32*(-1.0363563623218294d-2*t42*t9 2052 1 0+6.218138173930978d-2*rhoa*(-5.405528738015947d-2*t35*t8 2053 2 *t87+1.168789637500651d-2*gammaaa*t28*t40*t77*t87-1.08110 2054 3 57476031893d-1*gammaaa*t35*t8*(1.118426454244592d+2*t8*t8 2055 4 3*t85*t86-5.405528738015947d-2*t26*t36*t8*t84-5.592132271 2056 5 222959d+1*t26*t36*t8*t83+6.00614304223994d-3*t28*t53*t8+t 2057 6 176+t175+t174)+6.00614304223994d-3*t30*t53*t8-6.493275763 2058 7 892503d-4*gammaaa*t28*t35*t40*t53+t173+t172+t171+t170+t16 2059 8 9+t168+t167+t166+t165+t164)+t163)+t68*(t177-t42*t89)+t162 2060 9 )*wght+Cmat3(iq,D3_RA_RA_GAB) 2061 Cmat3(iq,D3_RA_RA_GBB) = t161+Cmat3(iq,D3_RA_RA_GBB) 2062 Cmat3(iq,D3_RA_RB_GAA) = (t68*(t160-t41*t95)+t32*(6.21813817 2063 1 3930978d-2*rhoa*(-2.7027643690079733d-2*t35*t8*t93+5.8439 2064 2 48187503255d-3*gammaaa*t28*t40*t77*t93-1.0811057476031893 2065 3 d-1*gammaaa*t35*t8*(-2.7027643690079733d-2*t26*t36*t8*t92 2066 4 +5.59213227122296d+1*t8*t83*t85*t86-2.79606613561148d+1*t 2067 5 26*t36*t8*t83-3.00307152111997d-3*t28*t53*t8+t159+t158+t1 2068 6 57)-3.00307152111997d-3*t30*t53*t8+3.2466378819462527d-4* 2069 7 gammaaa*t28*t35*t40*t53+t156+t155+t154+t153+t152+t151+t15 2070 8 0+t149+t148+t147)+1.0363563623218296d-2*t41*t90+t146)+t14 2071 9 5)*wght+Cmat3(iq,D3_RA_RB_GAA) 2072 Cmat3(iq,D3_RA_RB_GAB) = (t68*(t177-t42*t95)+t32*(6.21813817 2073 1 3930978d-2*rhoa*(-5.405528738015947d-2*t35*t8*t93+1.16878 2074 2 9637500651d-2*gammaaa*t28*t40*t77*t93-1.0811057476031893d 2075 3 -1*gammaaa*t35*t8*(-5.405528738015947d-2*t26*t36*t8*t92+1 2076 4 .1184264542445921d+2*t8*t83*t85*t86-5.59213227122296d+1*t 2077 5 26*t36*t8*t83-6.00614304223994d-3*t28*t53*t8+t176+t175+t1 2078 6 74)-6.00614304223994d-3*t30*t53*t8+6.493275763892505d-4*g 2079 7 ammaaa*t28*t35*t40*t53+t173+t172+t171+t170+t169+t168+t167 2080 8 +t166+t165+t164)+1.0363563623218296d-2*t42*t90+t163)+t162 2081 9 )*wght+Cmat3(iq,D3_RA_RB_GAB) 2082 Cmat3(iq,D3_RA_GAA_GAA) = t181+Cmat3(iq,D3_RA_GAA_GAA) 2083 Cmat3(iq,D3_RA_GAA_GAB) = (t68*(-t42*t99-6.218138173930978d- 2084 1 2*rhoa*t102*t41+t184)+t183+t182)*wght+Cmat3(iq,D3_RA_GAA_ 2085 2 GAB) 2086 Cmat3(iq,D3_RA_GAA_GBB) = t181+Cmat3(iq,D3_RA_GAA_GBB) 2087 Cmat3(iq,D3_RA_GAB_GAB) = (t32*(6.218138173930978d-2*rhoa*(6 2088 1 .817939552087132d-3*t28*t33*t35*t96-1.0811057476031893d-1 2089 2 *t101*t35*t8+1.168789637500651d-2*t28*t37*t40*t77+2.33757 2090 3 9275001302d-2*gammaaa*t101*t28*t40*t77-7.370913636572511d 2091 4 -4*gammaaa*t178*t33*t36*t77-1.8953777922615034d-3*gammaaa 2092 5 *t105*t134*t36*t37)+3.109069086965489d-2*t110)+(-t103*t42 2093 6 -6.218138173930978d-2*rhoa*t102*t42-6.218138173930978d-2* 2094 7 rhoa*t110*t38)*t68+1.2436276347861956d-1*rhoa*t109*t124*t 2095 8 38)*wght+Cmat3(iq,D3_RA_GAB_GAB) 2096 Cmat3(iq,D3_RA_GAB_GBB) = (t68*(-6.218138173930978d-2*rhoa*t 2097 1 42*t98-t103*t41+t184)+t183+t182)*wght+Cmat3(iq,D3_RA_GAB_ 2098 2 GBB) 2099 Cmat3(iq,D3_RA_GBB_GBB) = t181+Cmat3(iq,D3_RA_GBB_GBB) 2100 Cmat3(iq,D3_GAA_GAA_GAA) = t186+Cmat3(iq,D3_GAA_GAA_GAA) 2101 Cmat3(iq,D3_GAA_GAA_GAB) = t187+Cmat3(iq,D3_GAA_GAA_GAB) 2102 Cmat3(iq,D3_GAA_GAA_GBB) = t186+Cmat3(iq,D3_GAA_GAA_GBB) 2103 Cmat3(iq,D3_GAA_GAB_GAB) = t68*(-1.2436276347861956d-1*rhoa* 2104 1 t108*t42*wght-6.218138173930978d-2*rhoa*t110*t41*wght)+6. 2105 2 218138173930978d-2*rhoa*t32*(4.738444480653759d-4*t105*t3 2106 3 6*t77-5.122759562733388d-5*gammaaa*t134*t185*t85)*wght+1. 2107 4 2436276347861956d-1*rhoa*t109*t124*t41*wght+Cmat3(iq,D3_G 2108 5 AA_GAB_GAB) 2109 Cmat3(iq,D3_GAA_GAB_GBB) = t187+Cmat3(iq,D3_GAA_GAB_GBB) 2110 Cmat3(iq,D3_GAB_GAB_GAB) = 6.218138173930978d-2*rhoa*t32*(9. 2111 1 476888961307518d-4*t105*t36*t77-1.0245519125466776d-4*gam 2112 2 maaa*t134*t185*t85)*wght-1.8654414521792934d-1*rhoa*t110* 2113 3 t42*t68*wght+1.2436276347861956d-1*rhoa*t124*t42**3*wght+ 2114 4 Cmat3(iq,D3_GAB_GAB_GAB) 2115 endif ! rhoa.gt.tol_rho 2116 else ! ipol.eq.1 2117 rhoa = rho(iq,R_A) 2118 rhob = rho(iq,R_B) 2119 gammaaa = rgamma(iq,G_AA) 2120 gammaab = rgamma(iq,G_AB) 2121 gammabb = rgamma(iq,G_BB) 2122 if (rhoa.gt.tol_rho.and.rhob.gt.tol_rho) then 2123 t1 = rhob+rhoa 2124 t2 = t1**3.333333333333333d-1 2125 t3 = 1/t2 2126 t4 = 1.325688999052018d-1*t3+1.0d+0 2127 t5 = t2**5.0d-1 2128 t6 = 1/t5 2129 t7 = 2.4141993114533214d-2*t6+1.0186556948d-1 2130 t8 = 7.876233178997433d-1*t6*t7+2.2308199064d-1 2131 t9 = 7.876233178997433d-1*t6*t8+4.7231125998d-1 2132 t10 = 1/t9 2133 t11 = 1.269642451250142d+0*t10*t5+1.0d+0 2134 t12 = log(t11) 2135 t13 = rhoa-rhob 2136 t14 = 1/t1 2137 t15 = 1.0d+0-t13*t14 2138 t16 = t15**1.3333333333333333d+0 2139 t17 = t13*t14+1.0d+0 2140 t18 = t17**1.3333333333333333d+0 2141 t19 = 1.923661050931536d+0*t18+1.923661050931536d+0*t16-3.84 2142 1 7322101863072d+0 2143 t20 = 6.901399211255826d-2*t3+1.0d+0 2144 t21 = 1.3212998810398843d-2*t6+2.9729725188d-2 2145 t22 = 7.876233178997433d-1*t21*t6+1.2236585478d-1 2146 t23 = 7.876233178997433d-1*t22*t6+3.497952466d-1 2147 t24 = 1/t23 2148 t25 = 1.269642451250142d+0*t24*t5+1.0d+0 2149 t26 = log(t25) 2150 t27 = t13**4 2151 t28 = 1/t1**4 2152 t29 = 1.2746961887000874d-1*t3+1.0d+0 2153 t30 = 1.530901310039024d-2*t6+1.0465751434d-1 2154 t31 = 7.876233178997433d-1*t30*t6+1.9269083139d-1 2155 t32 = 7.876233178997433d-1*t31*t6+4.3896648423d-1 2156 t33 = 1/t32 2157 t34 = 1.269642451250142d+0*t33*t5+1.0d+0 2158 t35 = log(t34) 2159 t36 = 1.709920934161365d+0*(6.21814d-2*t12*t4-3.10907d-2*t29 2160 1 *t35)-3.37738d-2*t20*t26 2161 t37 = t27*t28*t36+3.37738d-2*t20*t26 2162 t38 = 5.848223622634648d-1*t19*t37-6.21814d-2*t12*t4 2163 t39 = t15**6.666666666666666d-1 2164 t40 = t17**6.666666666666666d-1 2165 t41 = 5.0d-1*t40+5.0d-1*t39 2166 t42 = t41**3.0d+0 2167 t43 = gammabb+2.0d+0*gammaab+gammaaa 2168 t44 = t1**1.1666666666666667d+0 2169 t45 = 1/t44**2.0d+0 2170 t46 = t41**2.0d+0 2171 t47 = 1/t46 2172 t48 = 1/t42 2173 t49 = exp(-3.216396844291483d+1*t38*t48) 2174 t50 = t49-1.0d+0 2175 t51 = 1/t50 2176 t52 = 1.3621078885675922d-1*t43*t45*t47*t51+1.0d+0 2177 t53 = 1/t52 2178 t54 = 1.3621078885675922d-1*t43*t45*t47*t53+1.0d+0 2179 t55 = log(t54) 2180 t56 = 1/t1**1.3333333333333336d+0 2181 t57 = 1/t1**6.666666666666667d-1 2182 t58 = 1/t5**3 2183 t59 = -1.3127055298329054d-1*t57*t58*t7-3.169132786263567d-3 2184 1 *t56 2185 t60 = 7.876233178997433d-1*t59*t6-1.3127055298329054d-1*t57* 2186 1 t58*t8 2187 t61 = 1/t9**2 2188 t62 = 2.11607075208357d-1*t10*t57*t6-1.269642451250142d+0*t5 2189 1 *t60*t61 2190 t63 = 1/t11 2191 t64 = -6.21814d-2*t4*t62*t63 2192 t65 = 1/t1**1.3333333333333333d+0 2193 t66 = 2.747773264188438d-3*t12*t65 2194 t67 = -1.3127055298329054d-1*t21*t57*t58-1.7344776604086162d 2195 1 -3*t56 2196 t68 = 7.876233178997433d-1*t6*t67-1.3127055298329054d-1*t22* 2197 1 t57*t58 2198 t69 = 1/t23**2 2199 t70 = 2.11607075208357d-1*t24*t57*t6-1.269642451250142d+0*t5 2200 1 *t68*t69 2201 t71 = 1/t25 2202 t72 = 3.37738d-2*t20*t70*t71 2203 t73 = -7.769549222703733d-4*t26*t65 2204 t74 = -1.3127055298329054d-1*t30*t57*t58-2.0096226153166658d 2205 1 -3*t56 2206 t75 = 7.876233178997433d-1*t6*t74-1.3127055298329054d-1*t31* 2207 1 t57*t58 2208 t76 = 1/t32**2 2209 t77 = 2.11607075208357d-1*t33*t57*t6-1.269642451250142d+0*t5 2210 1 *t75*t76 2211 t78 = 1/t34 2212 t79 = 1.709920934161365d+0*(-3.10907d-2*t29*t77*t78+1.321039 2213 1 8931339265d-3*t35*t65-2.747773264188438d-3*t12*t65+6.2181 2214 2 4d-2*t4*t62*t63)-3.37738d-2*t20*t70*t71+7.769549222703733 2215 3 d-4*t26*t65 2216 t80 = t27*t28*t79 2217 t81 = 1/t1**5 2218 t82 = -4*t27*t36*t81 2219 t83 = t13**3 2220 t84 = 4*t28*t36*t83+t82+t80+t73+t72 2221 t85 = 1/t1**2 2222 t86 = t13*t85 2223 t87 = -t14 2224 t88 = t87+t86 2225 t89 = t15**3.333333333333333d-1 2226 t90 = -t13*t85 2227 t91 = t90+t14 2228 t92 = t17**3.333333333333333d-1 2229 t93 = 2.564881401242048d+0*t91*t92+2.564881401242048d+0*t88* 2230 1 t89 2231 t94 = 5.848223622634648d-1*t37*t93+5.848223622634648d-1*t19* 2232 1 t84+t66+t64 2233 t95 = 1.0d+0*t38 2234 t96 = 1/t54 2235 t97 = 1/t89 2236 t98 = 1/t92 2237 t99 = 3.333333333333333d-1*t91*t98+3.333333333333333d-1*t88* 2238 1 t97 2239 t100 = t1**1.6666666666666674d-1 2240 t101 = 1/t44**3.0d+0 2241 t102 = -3.1782517399910487d-1*t100*t101*t43*t47*t53 2242 t103 = 1/t52**2 2243 t104 = -3.1782517399910487d-1*t100*t101*t43*t47*t51 2244 t105 = 1/t50**2 2245 t106 = 1/t41**4.0d+0 2246 t107 = 9.649190532874448d+1*t106*t38*t99-3.216396844291483d+ 2247 1 1*t48*t94 2248 t108 = -2.7242157771351844d-1*t43*t45*t48*t51*t99-1.36210788 2249 1 85675922d-1*t105*t107*t43*t45*t47*t49+t104 2250 t109 = -2.7242157771351844d-1*t43*t45*t48*t53*t99-1.36210788 2251 1 85675922d-1*t103*t108*t43*t45*t47+t102 2252 t110 = 3.109069086965489d-2*t42*t55 2253 t111 = -4*t28*t36*t83+t82+t80+t73+t72 2254 t112 = t86+t14 2255 t113 = t90+t87 2256 t114 = 2.564881401242048d+0*t113*t92+2.564881401242048d+0*t1 2257 1 12*t89 2258 t115 = t66+t64+5.848223622634648d-1*t114*t37+5.8482236226346 2259 1 48d-1*t111*t19 2260 t116 = 3.333333333333333d-1*t113*t98+3.333333333333333d-1*t1 2261 1 12*t97 2262 t117 = 9.649190532874448d+1*t106*t116*t38-3.216396844291483d 2263 1 +1*t115*t48 2264 t118 = -2.7242157771351844d-1*t116*t43*t45*t48*t51-1.3621078 2265 1 885675922d-1*t105*t117*t43*t45*t47*t49+t104 2266 t119 = -2.7242157771351844d-1*t116*t43*t45*t48*t53-1.3621078 2267 1 885675922d-1*t103*t118*t43*t45*t47+t102 2268 t120 = 1/t44**4.0d+0 2269 t121 = 1.3621078885675922d-1*t45*t47*t53-1.855337900098064d- 2270 1 2*t103*t106*t120*t43*t51 2271 t122 = 3.109069086965489d-2*t1*t121*t42*t96*wght 2272 t123 = 2.7242157771351844d-1*t45*t47*t53-3.710675800196128d- 2273 1 2*t103*t106*t120*t43*t51 2274 t124 = t62**2 2275 t125 = 1/t11**2 2276 t126 = 6.21814d-2*t124*t125*t4 2277 t127 = t60**2 2278 t128 = 1/t9**3 2279 t129 = 1/t1**2.3333333333333334d+0 2280 t130 = 1/t5**5 2281 t131 = 1/t1**1.6666666666666669d+0 2282 t132 = 8.751370198886037d-2*t131*t58*t7+6.563527649164527d-2 2283 1 *t130*t56*t7+4.753699179395351d-3*t129 2284 t133 = 8.751370198886037d-2*t131*t58*t8+6.563527649164527d-2 2285 1 *t130*t56*t8+7.876233178997433d-1*t132*t6-2.6254110596658 2286 2 11d-1*t57*t58*t59 2287 t134 = -4.23214150416714d-1*t57*t6*t60*t61-1.269642451250142 2288 1 d+0*t133*t5*t61-1.4107138347223802d-1*t10*t131*t6-3.52678 2289 2 458680595d-2*t10*t56*t58+2.539284902500284d+0*t127*t128*t 2290 3 5 2291 t135 = -6.21814d-2*t134*t4*t63 2292 t136 = 5.495546528376876d-3*t62*t63*t65 2293 t137 = 1/t1**2.333333333333333d+0 2294 t138 = -3.663697685584584d-3*t12*t137 2295 t139 = t70**2 2296 t140 = 1/t25**2 2297 t141 = -3.37738d-2*t139*t140*t20 2298 t142 = t68**2 2299 t143 = 1/t23**3 2300 t144 = 8.751370198886037d-2*t131*t21*t58+6.563527649164527d- 2301 1 2*t130*t21*t56+2.601716490612924d-3*t129 2302 t145 = -2.625411059665811d-1*t57*t58*t67+7.876233178997433d- 2303 1 1*t144*t6+8.751370198886037d-2*t131*t22*t58+6.56352764916 2304 2 4527d-2*t130*t22*t56 2305 t146 = -4.23214150416714d-1*t57*t6*t68*t69-1.269642451250142 2306 1 d+0*t145*t5*t69-1.4107138347223802d-1*t131*t24*t6-3.52678 2307 2 458680595d-2*t24*t56*t58+2.539284902500284d+0*t142*t143*t 2308 3 5 2309 t147 = 3.37738d-2*t146*t20*t71 2310 t148 = -1.5539098445407465d-3*t65*t70*t71 2311 t149 = 1.0359398963604977d-3*t137*t26 2312 t150 = t77**2 2313 t151 = 1/t34**2 2314 t152 = t75**2 2315 t153 = 1/t32**3 2316 t154 = 8.751370198886037d-2*t131*t30*t58+6.563527649164527d- 2317 1 2*t130*t30*t56+3.0144339229749983d-3*t129 2318 t155 = -2.625411059665811d-1*t57*t58*t74+7.876233178997433d- 2319 1 1*t154*t6+8.751370198886037d-2*t131*t31*t58+6.56352764916 2320 2 4527d-2*t130*t31*t56 2321 t156 = -4.23214150416714d-1*t57*t6*t75*t76-1.269642451250142 2322 1 d+0*t155*t5*t76-1.4107138347223802d-1*t131*t33*t6-3.52678 2323 2 458680595d-2*t33*t56*t58+2.539284902500284d+0*t152*t153*t 2324 3 5 2325 t157 = 1.709920934161365d+0*(2.642079786267853d-3*t65*t77*t7 2326 1 8-3.10907d-2*t156*t29*t78-5.495546528376876d-3*t62*t63*t6 2327 2 5+6.21814d-2*t134*t4*t63-6.21814d-2*t124*t125*t4-1.761386 2328 3 5241785687d-3*t137*t35+3.10907d-2*t150*t151*t29+3.6636976 2329 4 85584584d-3*t12*t137)+1.5539098445407465d-3*t65*t70*t71-3 2330 5 .37738d-2*t146*t20*t71-1.0359398963604977d-3*t137*t26+3.3 2331 6 7738d-2*t139*t140*t20 2332 t158 = t157*t27*t28 2333 t159 = -8*t27*t79*t81 2334 t160 = 1/t1**6 2335 t161 = 20*t160*t27*t36 2336 t162 = t13**2 2337 t163 = 12*t162*t28*t36 2338 t164 = -32*t36*t81*t83+8*t28*t79*t83+t163+t161+t159+t158+t14 2339 1 9+t148+t147+t141 2340 t165 = t88**2 2341 t166 = 1/t39 2342 t167 = 1/t1**3 2343 t168 = -2*t13*t167 2344 t169 = 2*t85 2345 t170 = t169+t168 2346 t171 = t91**2 2347 t172 = 1/t40 2348 t173 = 2*t13*t167 2349 t174 = -2*t85 2350 t175 = t174+t173 2351 t176 = 2.564881401242048d+0*t175*t92+2.564881401242048d+0*t1 2352 1 70*t89+8.549604670806825d-1*t171*t172+8.549604670806825d- 2353 2 1*t165*t166 2354 t177 = 1.1696447245269297d+0*t84*t93+5.848223622634648d-1*t1 2355 1 76*t37+5.848223622634648d-1*t164*t19+t138+t136+t135+t126 2356 t178 = t99**2 2357 t179 = 1/t16 2358 t180 = 1/t18 2359 t181 = 3.333333333333333d-1*t175*t98+3.333333333333333d-1*t1 2360 1 70*t97-1.111111111111111d-1*t171*t180-1.111111111111111d- 2361 2 1*t165*t179 2362 t182 = t1**3.333333333333335d-1 2363 t183 = 1.1123881089968671d+0*t120*t182*t43*t47*t53 2364 t184 = 1/t1**8.333333333333333d-1 2365 t185 = -5.297086233318417d-2*t101*t184*t43*t47*t53 2366 t186 = 1.1123881089968671d+0*t120*t182*t43*t47*t51 2367 t187 = -5.297086233318417d-2*t101*t184*t43*t47*t51 2368 t188 = 1/t41**5.0d+0 2369 t189 = 1.9298381065748896d+2*t106*t94*t99-3.216396844291483d 2370 1 +1*t177*t48-3.859676213149779d+2*t178*t188*t38+9.64919053 2371 2 2874448d+1*t106*t181*t38 2372 t190 = exp(-6.432793688582966d+1*t38*t48) 2373 t191 = 1/t50**3 2374 t192 = t107**2 2375 t193 = 1.2713006959964196d+0*t100*t101*t43*t48*t51*t99+5.448 2376 1 431554270369d-1*t105*t107*t43*t45*t48*t49*t99-2.724215777 2377 2 1351844d-1*t181*t43*t45*t48*t51+8.172647331405554d-1*t106 2378 3 *t178*t43*t45*t51-1.3621078885675922d-1*t105*t192*t43*t45 2379 4 *t47*t49-1.3621078885675922d-1*t105*t189*t43*t45*t47*t49+ 2380 5 6.356503479982097d-1*t100*t101*t105*t107*t43*t47*t49+2.72 2381 6 42157771351844d-1*t190*t191*t192*t43*t45*t47+t187+t186 2382 t194 = 1/t52**3 2383 t195 = t108**2 2384 t196 = 1.2713006959964196d+0*t100*t101*t43*t48*t53*t99+5.448 2385 1 431554270369d-1*t103*t108*t43*t45*t48*t99-2.7242157771351 2386 2 844d-1*t181*t43*t45*t48*t53+8.172647331405554d-1*t106*t17 2387 3 8*t43*t45*t53+2.7242157771351844d-1*t194*t195*t43*t45*t47 2388 4 -1.3621078885675922d-1*t103*t193*t43*t45*t47+6.3565034799 2389 5 82097d-1*t100*t101*t103*t108*t43*t47+t185+t183 2390 t197 = 1.8654414521792934d-1*t1*t109*t46*t99+3.1090690869654 2391 1 89d-2*t1*t196*t42+6.218138173930978d-2*t109*t42 2392 t198 = 1/t54**2 2393 t199 = t109**2 2394 t200 = -12*t162*t28*t36+t161+t159+t158+t149+t148+t147+t141 2395 t201 = 5.129762802484096d+0*t13*t167*t92+8.549604670806825d- 2396 1 1*t113*t172*t91-5.129762802484096d+0*t13*t167*t89+8.54960 2397 2 4670806825d-1*t112*t166*t88 2398 t202 = 5.848223622634648d-1*t111*t93+5.848223622634648d-1*t1 2399 1 14*t84+5.848223622634648d-1*t201*t37+5.848223622634648d-1 2400 2 *t19*t200+t138+t136+t135+t126 2401 t203 = 6.666666666666666d-1*t13*t167*t98-6.666666666666666d- 2402 1 1*t13*t167*t97-1.111111111111111d-1*t113*t180*t91-1.11111 2403 2 1111111111d-1*t112*t179*t88 2404 t204 = -3.859676213149779d+2*t116*t188*t38*t99+9.64919053287 2405 1 4448d+1*t106*t115*t99+9.649190532874448d+1*t106*t116*t94- 2406 2 3.216396844291483d+1*t202*t48+9.649190532874448d+1*t106*t 2407 3 203*t38 2408 t205 = 6.356503479982097d-1*t100*t101*t43*t48*t51*t99+8.1726 2409 1 47331405554d-1*t106*t116*t43*t45*t51*t99+2.72421577713518 2410 2 44d-1*t105*t117*t43*t45*t48*t49*t99-2.7242157771351844d-1 2411 3 *t203*t43*t45*t48*t51+6.356503479982097d-1*t100*t101*t116 2412 4 *t43*t48*t51+2.7242157771351844d-1*t105*t107*t116*t43*t45 2413 5 *t48*t49-1.3621078885675922d-1*t105*t204*t43*t45*t47*t49- 2414 6 1.3621078885675922d-1*t105*t107*t117*t43*t45*t47*t49+3.17 2415 7 82517399910487d-1*t100*t101*t105*t117*t43*t47*t49+3.17825 2416 8 17399910487d-1*t100*t101*t105*t107*t43*t47*t49+2.72421577 2417 9 71351844d-1*t107*t117*t190*t191*t43*t45*t47+t187+t186 2418 t206 = 6.356503479982097d-1*t100*t101*t43*t48*t53*t99+8.1726 2419 1 47331405554d-1*t106*t116*t43*t45*t53*t99+2.72421577713518 2420 2 44d-1*t103*t118*t43*t45*t48*t99-2.7242157771351844d-1*t20 2421 3 3*t43*t45*t48*t53+6.356503479982097d-1*t100*t101*t116*t43 2422 4 *t48*t53+2.7242157771351844d-1*t103*t108*t116*t43*t45*t48 2423 5 -1.3621078885675922d-1*t103*t205*t43*t45*t47+2.7242157771 2424 6 351844d-1*t108*t118*t194*t43*t45*t47+3.1782517399910487d- 2425 7 1*t100*t101*t103*t118*t43*t47+3.1782517399910487d-1*t100* 2426 8 t101*t103*t108*t43*t47+t185+t183 2427 t207 = 9.327207260896466d-2*t1*t119*t46*t99+9.32720726089646 2428 1 6d-2*t1*t109*t116*t46+3.109069086965489d-2*t1*t206*t42+3. 2429 2 109069086965489d-2*t119*t42+3.109069086965489d-2*t109*t42 2430 t208 = 32*t36*t81*t83-8*t28*t79*t83+t163+t161+t159+t158+t149 2431 1 +t148+t147+t141 2432 t209 = t112**2 2433 t210 = t174+t168 2434 t211 = t113**2 2435 t212 = t173+t169 2436 t213 = 2.564881401242048d+0*t212*t92+2.564881401242048d+0*t2 2437 1 10*t89+8.549604670806825d-1*t172*t211+8.549604670806825d- 2438 2 1*t166*t209 2439 t214 = 5.848223622634648d-1*t213*t37+5.848223622634648d-1*t1 2440 1 9*t208+t138+t136+t135+t126+1.1696447245269297d+0*t111*t11 2441 2 4 2442 t215 = t116**2 2443 t216 = 3.333333333333333d-1*t212*t98+3.333333333333333d-1*t2 2444 1 10*t97-1.111111111111111d-1*t180*t211-1.111111111111111d- 2445 2 1*t179*t209 2446 t217 = -3.216396844291483d+1*t214*t48+9.649190532874448d+1*t 2447 1 106*t216*t38-3.859676213149779d+2*t188*t215*t38+1.9298381 2448 2 065748896d+2*t106*t115*t116 2449 t218 = t117**2 2450 t219 = -2.7242157771351844d-1*t216*t43*t45*t48*t51+1.2713006 2451 1 959964196d+0*t100*t101*t116*t43*t48*t51+8.172647331405554 2452 2 d-1*t106*t215*t43*t45*t51+5.448431554270369d-1*t105*t116* 2453 3 t117*t43*t45*t48*t49-1.3621078885675922d-1*t105*t218*t43* 2454 4 t45*t47*t49-1.3621078885675922d-1*t105*t217*t43*t45*t47*t 2455 5 49+6.356503479982097d-1*t100*t101*t105*t117*t43*t47*t49+2 2456 6 .7242157771351844d-1*t190*t191*t218*t43*t45*t47+t187+t186 2457 t220 = t118**2 2458 t221 = -2.7242157771351844d-1*t216*t43*t45*t48*t53+1.2713006 2459 1 959964196d+0*t100*t101*t116*t43*t48*t53+8.172647331405554 2460 2 d-1*t106*t215*t43*t45*t53+5.448431554270369d-1*t103*t116* 2461 3 t118*t43*t45*t48+2.7242157771351844d-1*t194*t220*t43*t45* 2462 4 t47-1.3621078885675922d-1*t103*t219*t43*t45*t47+6.3565034 2463 5 79982097d-1*t100*t101*t103*t118*t43*t47+t185+t183 2464 t222 = 1.8654414521792934d-1*t1*t116*t119*t46+3.109069086965 2465 1 489d-2*t1*t221*t42+6.218138173930978d-2*t119*t42 2466 t223 = t119**2 2467 t224 = 3.109069086965489d-2*t121*t42 2468 t225 = -3.1782517399910487d-1*t100*t101*t47*t53 2469 t226 = 1/t44**5.0d+0 2470 t227 = 4.3291217668954834d-2*t100*t103*t106*t226*t43*t51 2471 t228 = -3.1782517399910487d-1*t100*t101*t47*t51 2472 t229 = -2.7242157771351844d-1*t45*t48*t51*t99-1.362107888567 2473 1 5922d-1*t105*t107*t45*t47*t49+t228 2474 t230 = -2.7242157771351844d-1*t45*t48*t53*t99+3.710675800196 2475 1 128d-2*t103*t120*t188*t43*t51*t99+3.710675800196128d-2*t1 2476 2 06*t108*t120*t194*t43*t51-1.3621078885675922d-1*t103*t229 2477 3 *t43*t45*t47-1.3621078885675922d-1*t103*t108*t45*t47+t227 2478 4 +t225 2479 t231 = 9.327207260896466d-2*t1*t121*t46*t99+3.10906908696548 2480 1 9d-2*t1*t230*t42+t224 2481 t232 = (t231*t96-3.109069086965489d-2*t1*t109*t121*t198*t42) 2482 1 *wght 2483 t233 = 3.109069086965489d-2*t123*t42 2484 t234 = -6.356503479982097d-1*t100*t101*t47*t53 2485 t235 = 8.658243533790967d-2*t100*t103*t106*t226*t43*t51 2486 t236 = -6.356503479982097d-1*t100*t101*t47*t51 2487 t237 = -5.448431554270369d-1*t45*t48*t51*t99-2.7242157771351 2488 1 844d-1*t105*t107*t45*t47*t49+t236 2489 t238 = -5.448431554270369d-1*t45*t48*t53*t99+7.4213516003922 2490 1 56d-2*t103*t120*t188*t43*t51*t99+7.421351600392256d-2*t10 2491 2 6*t108*t120*t194*t43*t51-1.3621078885675922d-1*t103*t237* 2492 3 t43*t45*t47-2.7242157771351844d-1*t103*t108*t45*t47+t235+ 2493 4 t234 2494 t239 = 9.327207260896466d-2*t1*t123*t46*t99+3.10906908696548 2495 1 9d-2*t1*t238*t42+t233 2496 t240 = -2.7242157771351844d-1*t116*t45*t48*t51-1.36210788856 2497 1 75922d-1*t105*t117*t45*t47*t49+t228 2498 t241 = -2.7242157771351844d-1*t116*t45*t48*t53+3.71067580019 2499 1 6128d-2*t106*t118*t120*t194*t43*t51+3.710675800196128d-2* 2500 2 t103*t116*t120*t188*t43*t51-1.3621078885675922d-1*t103*t2 2501 3 40*t43*t45*t47-1.3621078885675922d-1*t103*t118*t45*t47+t2 2502 4 27+t225 2503 t242 = 9.327207260896466d-2*t1*t116*t121*t46+3.1090690869654 2504 1 89d-2*t1*t241*t42+t224 2505 t243 = (t242*t96-3.109069086965489d-2*t1*t119*t121*t198*t42) 2506 1 *wght 2507 t244 = -5.448431554270369d-1*t116*t45*t48*t51-2.724215777135 2508 1 1844d-1*t105*t117*t45*t47*t49+t236 2509 t245 = -5.448431554270369d-1*t116*t45*t48*t53+7.421351600392 2510 1 256d-2*t106*t118*t120*t194*t43*t51+7.421351600392256d-2*t 2511 2 103*t116*t120*t188*t43*t51-1.3621078885675922d-1*t103*t24 2512 3 4*t43*t45*t47-2.7242157771351844d-1*t103*t118*t45*t47+t23 2513 4 5+t234 2514 t246 = 9.327207260896466d-2*t1*t116*t123*t46+3.1090690869654 2515 1 89d-2*t1*t245*t42+t233 2516 t247 = t121**2 2517 t248 = 1/t44**6.0d+0 2518 t249 = 1/t41**6.0d+0 2519 t250 = 5.054340779364009d-3*t105*t194*t248*t249*t43-3.710675 2520 1 800196128d-2*t103*t106*t120*t51 2521 t251 = 3.109069086965489d-2*t1*t250*t42*t96*wght-3.109069086 2522 1 965489d-2*t1*t198*t247*t42*wght 2523 t252 = 1.0108681558728018d-2*t105*t194*t248*t249*t43-7.42135 2524 1 1600392256d-2*t103*t106*t120*t51 2525 t253 = 3.109069086965489d-2*t1*t252*t42*t96*wght-3.109069086 2526 1 965489d-2*t1*t121*t123*t198*t42*wght 2527 t254 = t123**2 2528 t255 = 2.0217363117456036d-2*t105*t194*t248*t249*t43-1.48427 2529 1 03200784513d-1*t103*t106*t120*t51 2530 t256 = t62**3 2531 t257 = 1/t11**3 2532 t258 = -1.243628d-1*t256*t257*t4 2533 t259 = 1.865442d-1*t125*t134*t4*t62 2534 t260 = -8.243319792565315d-3*t124*t125*t65 2535 t261 = 1/t1**3.3333333333333337d+0 2536 t262 = 1/t1**2.0d+0 2537 t263 = 1/t5**7 2538 t264 = 1/t1**2.666666666666667d+0 2539 t265 = -7.617854707500852d+0*t5*t60**3/t9**4-1.2696424512501 2540 1 42d+0*t5*t61*(-1.4585616998143394d-1*t264*t58*t8-5.469606 2541 2 374303773d-2*t262*t263*t8-1.3127055298329054d-1*t129*t130 2542 3 *t8+7.876233178997433d-1*t6*(-1.4585616998143394d-1*t264* 2543 4 t58*t7-5.469606374303773d-2*t262*t263*t7-1.31270552983290 2544 5 54d-1*t129*t130*t7-1.1708185015918181d-2*t261)+2.62541105 2545 6 9665811d-1*t131*t58*t59+1.9690582947493582d-1*t130*t56*t5 2546 7 9-3.9381165894987163d-1*t132*t57*t58)+4.2321415041671406d 2547 8 -1*t131*t6*t60*t61+1.0580353760417849d-1*t56*t58*t60*t61- 2548 9 6.34821225625071d-1*t133*t57*t6*t61+7.617854707500852d+0* 2549 : t128*t133*t5*t60+1.269642451250142d+0*t127*t128*t57*t6+2. 2550 ; 3511897245373004d-1*t10*t264*t6+7.053569173611901d-2*t10* 2551 < t129*t58+1.763392293402975d-2*t10*t130*t262 2552 t266 = -6.21814d-2*t265*t4*t63 2553 t267 = 8.243319792565315d-3*t134*t63*t65 2554 t268 = -1.0991093056753751d-2*t137*t62*t63 2555 t269 = 1/t1**3.333333333333333d+0 2556 t270 = 8.548627933030694d-3*t12*t269 2557 t271 = t88**3 2558 t272 = 1/t15**1.6666666666666669d+0 2559 t273 = 6*t13*t28 2560 t274 = -6*t167 2561 t275 = t274+t273 2562 t276 = t91**3 2563 t277 = 1/t17**1.6666666666666669d+0 2564 t278 = -6*t13*t28 2565 t279 = 6*t167 2566 t280 = t279+t278 2567 t281 = t70**3 2568 t282 = 1/t25**3 2569 t283 = 6.75476d-2*t20*t281*t282 2570 t284 = -1.013214d-1*t140*t146*t20*t70 2571 t285 = 2.33086476681112d-3*t139*t140*t65 2572 t286 = 4.2321415041671406d-1*t131*t6*t68*t69+1.0580353760417 2573 1 849d-1*t56*t58*t68*t69-1.269642451250142d+0*t5*(2.6254110 2574 2 59665811d-1*t131*t58*t67+1.9690582947493582d-1*t130*t56*t 2575 3 67+7.876233178997433d-1*(-1.4585616998143394d-1*t21*t264* 2576 4 t58-5.469606374303773d-2*t21*t262*t263-6.407931356509611d 2577 5 -3*t261-1.3127055298329054d-1*t129*t130*t21)*t6-3.9381165 2578 6 894987163d-1*t144*t57*t58-1.4585616998143394d-1*t22*t264* 2579 7 t58-5.469606374303773d-2*t22*t262*t263-1.3127055298329054 2580 8 d-1*t129*t130*t22)*t69-6.34821225625071d-1*t145*t57*t6*t6 2581 9 9-7.617854707500852d+0*t5*t68**3/t23**4+7.617854707500852 2582 : d+0*t143*t145*t5*t68+1.269642451250142d+0*t142*t143*t57*t 2583 ; 6+2.3511897245373004d-1*t24*t264*t6+7.053569173611901d-2* 2584 < t129*t24*t58+1.763392293402975d-2*t130*t24*t262 2585 t287 = 3.37738d-2*t20*t286*t71 2586 t288 = -2.33086476681112d-3*t146*t65*t71 2587 t289 = 3.107819689081493d-3*t137*t70*t71 2588 t290 = -2.4171930915078277d-3*t26*t269 2589 t291 = t27*t28*(1.709920934161365d+0*(-5.284159572535706d-3* 2590 1 t137*t77*t78-3.10907d-2*t29*(4.2321415041671406d-1*t131*t 2591 2 6*t75*t76+1.0580353760417849d-1*t56*t58*t75*t76-1.2696424 2592 3 51250142d+0*t5*(2.625411059665811d-1*t131*t58*t74+1.96905 2593 4 82947493582d-1*t130*t56*t74+7.876233178997433d-1*(-1.4585 2594 5 616998143394d-1*t264*t30*t58-5.469606374303773d-2*t262*t2 2595 6 63*t30-1.3127055298329054d-1*t129*t130*t30-7.424439106586 2596 7 571d-3*t261)*t6-3.9381165894987163d-1*t154*t57*t58-1.4585 2597 8 616998143394d-1*t264*t31*t58-5.469606374303773d-2*t262*t2 2598 9 63*t31-1.3127055298329054d-1*t129*t130*t31)*t76-6.3482122 2599 : 5625071d-1*t155*t57*t6*t76-7.617854707500852d+0*t5*t75**3 2600 ; /t32**4+7.617854707500852d+0*t153*t155*t5*t75+1.269642451 2601 < 250142d+0*t152*t153*t57*t6+2.3511897245373004d-1*t264*t33 2602 = *t6+7.053569173611901d-2*t129*t33*t58+1.763392293402975d- 2603 > 2*t130*t262*t33)*t78+3.96311967940178d-3*t156*t65*t78-6.2 2604 ? 1814d-2*t29*t77**3/t34**3+9.327209999999999d-2*t151*t156* 2605 @ t29*t77-8.243319792565315d-3*t134*t63*t65-3.9631196794017 2606 1 8d-3*t150*t151*t65+8.243319792565315d-3*t124*t125*t65+1.0 2607 2 991093056753751d-2*t137*t62*t63+6.21814d-2*t265*t4*t63-1. 2608 3 865442d-1*t125*t134*t4*t62+1.243628d-1*t256*t257*t4+4.109 2609 4 9018897499934d-3*t269*t35-8.548627933030694d-3*t12*t269)- 2610 5 3.107819689081493d-3*t137*t70*t71+2.33086476681112d-3*t14 2611 6 6*t65*t71-3.37738d-2*t20*t286*t71+1.013214d-1*t140*t146*t 2612 7 20*t70-2.33086476681112d-3*t139*t140*t65-6.75476d-2*t20*t 2613 8 281*t282+2.4171930915078277d-3*t26*t269) 2614 t292 = -12*t157*t27*t81 2615 t293 = 60*t160*t27*t79 2616 t294 = 36*t162*t28*t79 2617 t295 = -120*t27*t36/t1**7 2618 t296 = -144*t162*t36*t81 2619 t297 = 24*t13*t28*t36 2620 t298 = 1.7544670867903944d+0*t164*t93+5.848223622634648d-1*t 2621 1 37*(2.564881401242048d+0*t280*t92+2.5648814012420473d+0*t 2622 2 172*t175*t91+2.564881401242048d+0*t275*t89+2.564881401242 2623 3 0473d+0*t166*t170*t88-5.69973644720455d-1*t276*t277-5.699 2624 4 73644720455d-1*t271*t272)+1.7544670867903944d+0*t176*t84+ 2625 5 5.848223622634648d-1*t19*(-96*t79*t81*t83+240*t160*t36*t8 2626 6 3+12*t157*t28*t83+t297+t296+t295+t294+t293+t292+t291+t290 2627 7 +t289+t288+t287+t285+t284+t283)+t270+t268+t267+t266+t260+ 2628 8 t259+t258 2629 t299 = t99**3 2630 t300 = 1/t15**2.3333333333333334d+0 2631 t301 = 1/t17**2.3333333333333334d+0 2632 t302 = 3.333333333333333d-1*t280*t98+3.333333333333333d-1*t2 2633 1 75*t97-3.333333333333333d-1*t175*t180*t91-3.3333333333333 2634 2 33d-1*t170*t179*t88+1.4814814814814814d-1*t276*t301+1.481 2635 3 4814814814814d-1*t271*t300 2636 t303 = t1**5.000000000000002d-1 2637 t304 = -5.191144508652046d+0*t226*t303*t43*t47*t53 2638 t305 = 1/t1**6.666666666666665d-1 2639 t306 = 5.561940544984338d-1*t120*t305*t43*t47*t53 2640 t307 = 1/t1**1.8333333333333332d+0 2641 t308 = 4.414238527765347d-2*t101*t307*t43*t47*t53 2642 t309 = -5.191144508652046d+0*t226*t303*t43*t47*t51 2643 t310 = 5.561940544984338d-1*t120*t305*t43*t47*t51 2644 t311 = 4.414238527765347d-2*t101*t307*t43*t47*t51 2645 t312 = exp(-9.649190532874448d+1*t38*t48) 2646 t313 = 1/t50**4 2647 t314 = t107**3 2648 t315 = 1/t52**4 2649 t316 = -3.109069086965489d-2*t199*t42 2650 t317 = 1/t54**3 2651 t318 = 2.0d+0*t202 2652 t319 = t273-2*t167 2653 t320 = t278+2*t167 2654 t321 = -12*t162*t28*t79 2655 t322 = 48*t162*t36*t81 2656 t323 = -24*t13*t28*t36 2657 t324 = 1.1696447245269297d+0*t200*t93+5.848223622634648d-1*t 2658 1 37*(2.564881401242048d+0*t320*t92+3.41984186832273d+0*t13 2659 2 *t167*t172*t91+2.564881401242048d+0*t319*t89-3.4198418683 2660 3 2273d+0*t13*t166*t167*t88-5.69973644720455d-1*t113*t171*t 2661 4 277-5.69973644720455d-1*t112*t165*t272+8.549604670806825d 2662 5 -1*t113*t172*t175+8.549604670806825d-1*t112*t166*t170)+1. 2663 6 1696447245269297d+0*t201*t84+5.848223622634648d-1*t19*(-3 2664 7 2*t79*t81*t83+80*t160*t36*t83+4*t157*t28*t83+t323+t322+t3 2665 8 21+t295+t293+t292+t291+t290+t289+t288+t287+t285+t284+t283 2666 9 )+t270+t268+t267+t266+t260+t259+t258+5.848223622634648d-1 2667 : *t111*t176+5.848223622634648d-1*t114*t164 2668 t325 = 1.8654414521792934d-1*t119*t46*t99 2669 t326 = 1.8654414521792934d-1*t109*t116*t46 2670 t327 = 6.218138173930978d-2*t206*t42 2671 t328 = -3.813902087989258d+0*t100*t101*t106*t116*t43*t53*t99 2672 t329 = 1.2713006959964196d+0*t100*t101*t203*t43*t48*t53 2673 t330 = 3.333333333333333d-1*t320*t98+3.333333333333333d-1*t3 2674 1 19*t97-4.444444444444444d-1*t13*t167*t180*t91+4.444444444 2675 2 444444d-1*t13*t167*t179*t88+1.4814814814814814d-1*t113*t1 2676 3 71*t301+1.4814814814814814d-1*t112*t165*t300-1.1111111111 2677 4 11111d-1*t113*t175*t180-1.111111111111111d-1*t112*t170*t1 2678 5 79 2679 t331 = -1.2713006959964196d+0*t100*t101*t103*t118*t43*t48*t9 2680 1 9 2681 t332 = -1.2713006959964196d+0*t100*t101*t103*t108*t116*t43*t 2682 1 48 2683 t333 = -1.2713006959964196d+0*t100*t101*t108*t118*t194*t43*t 2684 1 47 2685 t334 = 6.356503479982097d-1*t100*t101*t103*t205*t43*t47 2686 t335 = -3.813902087989258d+0*t100*t101*t106*t116*t43*t51*t99 2687 t336 = 1.2713006959964196d+0*t100*t101*t203*t43*t48*t51 2688 t337 = 6.356503479982097d-1*t100*t101*t105*t204*t43*t47*t49 2689 t338 = -1.2713006959964196d+0*t100*t101*t105*t117*t43*t48*t4 2690 1 9*t99 2691 t339 = -1.2713006959964196d+0*t100*t101*t105*t107*t116*t43*t 2692 1 48*t49 2693 t340 = -1.2713006959964196d+0*t100*t101*t107*t117*t190*t191* 2694 1 t43*t47 2695 t341 = 6.356503479982097d-1*t100*t101*t105*t107*t117*t43*t47 2696 1 *t49 2697 t342 = 1.9298381065748896d+2*t106*t116*t38-6.432793688582966 2698 1 d+1*t115*t48 2699 t343 = 3.7308829043585867d-1*t116*t41*t55*t99 2700 t344 = 1.8654414521792934d-1*t203*t46*t55 2701 t345 = 5.848223622634648d-1*t208*t93+5.848223622634648d-1*t3 2702 1 7*(-1.5389288407452287d+1*t13*t28*t92-5.129762802484096d+ 2703 2 0*t167*t92-5.69973644720455d-1*t211*t277*t91+8.5496046708 2704 3 06825d-1*t172*t212*t91+1.5389288407452287d+1*t13*t28*t89+ 2705 4 5.129762802484096d+0*t167*t89-5.69973644720455d-1*t209*t2 2706 5 72*t88+8.549604670806825d-1*t166*t210*t88+3.4198418683227 2707 6 3d+0*t113*t13*t167*t172-3.41984186832273d+0*t112*t13*t166 2708 7 *t167)+5.848223622634648d-1*t213*t84+5.848223622634648d-1 2709 8 *t19*(32*t79*t81*t83-80*t160*t36*t83-4*t157*t28*t83+t322+ 2710 9 t321+t297+t295+t293+t292+t291+t290+t289+t288+t287+t285+t2 2711 : 84+t283)+t270+t268+t267+t266+t260+t259+t258+1.16964472452 2712 ; 69297d+0*t111*t201+1.1696447245269297d+0*t114*t200 2713 t346 = -2.0d+0*t13*t28*t98-6.666666666666666d-1*t167*t98+2.0 2714 1 d+0*t13*t28*t97+6.666666666666666d-1*t167*t97+1.481481481 2715 2 4814814d-1*t211*t301*t91-1.111111111111111d-1*t180*t212*t 2716 3 91+1.4814814814814814d-1*t209*t300*t88-1.111111111111111d 2717 4 -1*t179*t210*t88-4.444444444444444d-1*t113*t13*t167*t180+ 2718 5 4.444444444444444d-1*t112*t13*t167*t179 2719 t347 = t112**3 2720 t348 = t279+t273 2721 t349 = t113**3 2722 t350 = t278+t274 2723 t351 = 5.848223622634648d-1*t37*(2.564881401242048d+0*t350*t 2724 1 92+2.564881401242048d+0*t348*t89-5.69973644720455d-1*t277 2725 2 *t349-5.69973644720455d-1*t272*t347+2.5648814012420473d+0 2726 3 *t113*t172*t212+2.5648814012420473d+0*t112*t166*t210)+5.8 2727 4 48223622634648d-1*t19*(96*t79*t81*t83-240*t160*t36*t83-12 2728 5 *t157*t28*t83+t323+t296+t295+t294+t293+t292+t291+t290+t28 2729 6 9+t288+t287+t285+t284+t283)+t270+t268+t267+t266+t260+t259 2730 7 +t258+1.7544670867903944d+0*t111*t213+1.7544670867903944d 2731 8 +0*t114*t208 2732 t352 = t116**3 2733 t353 = 3.333333333333333d-1*t350*t98+3.333333333333333d-1*t3 2734 1 48*t97+1.4814814814814814d-1*t301*t349+1.4814814814814814 2735 2 d-1*t300*t347-3.333333333333333d-1*t113*t180*t212-3.33333 2736 3 3333333333d-1*t112*t179*t210 2737 t354 = t117**3 2738 t355 = 1.2713006959964196d+0*t100*t101*t48*t53*t99 2739 t356 = 1.1123881089968671d+0*t120*t182*t47*t53 2740 t357 = -5.297086233318417d-2*t101*t184*t47*t53 2741 t358 = -1.7316487067581934d-1*t100*t103*t188*t226*t43*t51*t9 2742 1 9 2743 t359 = -1.515192618413419d-1*t103*t106*t182*t248*t43*t51 2744 t360 = 7.215202944825808d-3*t103*t106*t184*t226*t43*t51 2745 t361 = 6.356503479982097d-1*t100*t101*t103*t108*t47 2746 t362 = -1.7316487067581934d-1*t100*t106*t108*t194*t226*t43*t 2747 1 51 2748 t363 = 1.2713006959964196d+0*t100*t101*t48*t51*t99 2749 t364 = 1.1123881089968671d+0*t120*t182*t47*t51 2750 t365 = -5.297086233318417d-2*t101*t184*t47*t51 2751 t366 = 6.356503479982097d-1*t100*t101*t105*t107*t47*t49 2752 t367 = (t96*(3.109069086965489d-2*t1*t42*(-1.362107888567592 2753 1 2d-1*t103*t43*t45*t47*(5.448431554270369d-1*t105*t107*t45 2754 2 *t48*t49*t99-2.7242157771351844d-1*t181*t45*t48*t51+8.172 2755 3 647331405554d-1*t106*t178*t45*t51-1.3621078885675922d-1*t 2756 4 105*t192*t45*t47*t49-1.3621078885675922d-1*t105*t189*t45* 2757 5 t47*t49+2.7242157771351844d-1*t190*t191*t192*t45*t47+t366 2758 6 +t365+t364+t363)-1.4842703200784513d-1*t108*t120*t188*t19 2759 7 4*t43*t51*t99+5.448431554270369d-1*t103*t229*t43*t45*t48* 2760 8 t99+5.448431554270369d-1*t103*t108*t45*t48*t99-2.72421577 2761 9 71351844d-1*t181*t45*t48*t53+8.172647331405554d-1*t106*t1 2762 : 78*t45*t53-1.1132027400588386d-1*t106*t120*t195*t315*t43* 2763 ; t51-1.1132027400588386d-1*t103*t120*t178*t249*t43*t51+3.7 2764 < 10675800196128d-2*t106*t120*t193*t194*t43*t51+3.710675800 2765 = 196128d-2*t103*t120*t181*t188*t43*t51+5.448431554270369d- 2766 > 1*t108*t194*t229*t43*t45*t47+2.7242157771351844d-1*t194*t 2767 ? 195*t45*t47-1.3621078885675922d-1*t103*t193*t45*t47+6.356 2768 @ 503479982097d-1*t100*t101*t103*t229*t43*t47+t362+t361+t36 2769 1 0+t359+t358+t357+t356+t355)+1.8654414521792934d-1*t1*t230 2770 2 *t46*t99+1.8654414521792934d-1*t121*t46*t99+9.32720726089 2771 3 6466d-2*t1*t121*t181*t46+6.218138173930978d-2*t230*t42+1. 2772 4 8654414521792934d-1*t1*t121*t178*t41)+t198*(-6.2181381739 2773 5 30978d-2*t1*t109*t230*t42-t121*t197)+6.218138173930978d-2 2774 6 *t1*t121*t199*t317*t42)*wght 2775 t368 = 2.2247762179937342d+0*t120*t182*t47*t53 2776 t369 = -1.0594172466636834d-1*t101*t184*t47*t53 2777 t370 = -3.030385236826838d-1*t103*t106*t182*t248*t43*t51 2778 t371 = 1.4430405889651615d-2*t103*t106*t184*t226*t43*t51 2779 t372 = 2.2247762179937342d+0*t120*t182*t47*t51 2780 t373 = -1.0594172466636834d-1*t101*t184*t47*t51 2781 t374 = (t96*(3.109069086965489d-2*t1*t42*(-1.362107888567592 2782 1 2d-1*t103*t43*t45*t47*(6.356503479982097d-1*t100*t101*t48 2783 2 *t51*t99+8.172647331405554d-1*t106*t116*t45*t51*t99+2.724 2784 3 2157771351844d-1*t105*t117*t45*t48*t49*t99-2.724215777135 2785 4 1844d-1*t203*t45*t48*t51+6.356503479982097d-1*t100*t101*t 2786 5 116*t48*t51+2.7242157771351844d-1*t105*t107*t116*t45*t48* 2787 6 t49-1.3621078885675922d-1*t105*t204*t45*t47*t49-1.3621078 2788 7 885675922d-1*t105*t107*t117*t45*t47*t49+3.178251739991048 2789 8 7d-1*t100*t101*t105*t117*t47*t49+3.1782517399910487d-1*t1 2790 9 00*t101*t105*t107*t47*t49+2.7242157771351844d-1*t107*t117 2791 : *t190*t191*t45*t47+t365+t364)+6.356503479982097d-1*t100*t 2792 ; 101*t48*t53*t99+8.172647331405554d-1*t106*t116*t45*t53*t9 2793 < 9-1.1132027400588386d-1*t103*t116*t120*t249*t43*t51*t99-8 2794 = .658243533790967d-2*t100*t103*t188*t226*t43*t51*t99-7.421 2795 > 351600392256d-2*t118*t120*t188*t194*t43*t51*t99+2.7242157 2796 ? 771351844d-1*t103*t240*t43*t45*t48*t99+2.7242157771351844 2797 @ d-1*t103*t118*t45*t48*t99-2.7242157771351844d-1*t203*t45* 2798 1 t48*t53+6.356503479982097d-1*t100*t101*t116*t48*t53-1.113 2799 2 2027400588386d-1*t106*t108*t118*t120*t315*t43*t51-8.65824 2800 3 3533790967d-2*t100*t106*t118*t194*t226*t43*t51-8.65824353 2801 4 3790967d-2*t100*t106*t108*t194*t226*t43*t51-8.65824353379 2802 5 0967d-2*t100*t103*t116*t188*t226*t43*t51+3.71067580019612 2803 6 8d-2*t106*t120*t194*t205*t43*t51+3.710675800196128d-2*t10 2804 7 3*t120*t188*t203*t43*t51-7.421351600392256d-2*t108*t116*t 2805 8 120*t188*t194*t43*t51+2.7242157771351844d-1*t103*t116*t22 2806 9 9*t43*t45*t48+2.7242157771351844d-1*t103*t108*t116*t45*t4 2807 : 8+2.7242157771351844d-1*t108*t194*t240*t43*t45*t47+2.7242 2808 ; 157771351844d-1*t118*t194*t229*t43*t45*t47-1.362107888567 2809 < 5922d-1*t103*t205*t45*t47+2.7242157771351844d-1*t108*t118 2810 = *t194*t45*t47+3.1782517399910487d-1*t100*t101*t103*t240*t 2811 > 43*t47+3.1782517399910487d-1*t100*t101*t103*t229*t43*t47+ 2812 ? 3.1782517399910487d-1*t100*t101*t103*t118*t47+3.178251739 2813 @ 9910487d-1*t100*t101*t103*t108*t47+t360+t359+t357+t356)+9 2814 1 .327207260896466d-2*t1*t241*t46*t99+9.327207260896466d-2* 2815 2 t121*t46*t99+1.8654414521792934d-1*t1*t116*t121*t41*t99+9 2816 3 .327207260896466d-2*t1*t116*t230*t46+9.327207260896466d-2 2817 4 *t1*t121*t203*t46+9.327207260896466d-2*t116*t121*t46+3.10 2818 5 9069086965489d-2*t241*t42+3.109069086965489d-2*t230*t42)+ 2819 6 t198*(-3.109069086965489d-2*t1*t109*t241*t42-3.1090690869 2820 7 65489d-2*t1*t119*t230*t42-t121*t207)+6.218138173930978d-2 2821 8 *t1*t109*t119*t121*t317*t42)*wght 2822 t375 = 1.2713006959964196d+0*t100*t101*t116*t48*t53 2823 t376 = -1.7316487067581934d-1*t100*t103*t116*t188*t226*t43*t 2824 1 51 2825 t377 = 6.356503479982097d-1*t100*t101*t103*t118*t47 2826 t378 = -1.7316487067581934d-1*t100*t106*t118*t194*t226*t43*t 2827 1 51 2828 t379 = 1.2713006959964196d+0*t100*t101*t116*t48*t51 2829 t380 = 6.356503479982097d-1*t100*t101*t105*t117*t47*t49 2830 t381 = ((3.109069086965489d-2*t1*t42*(-2.7242157771351844d-1 2831 1 *t216*t45*t48*t53+8.172647331405554d-1*t106*t215*t45*t53- 2832 2 1.3621078885675922d-1*t103*t43*t45*t47*(-2.72421577713518 2833 3 44d-1*t216*t45*t48*t51+8.172647331405554d-1*t106*t215*t45 2834 4 *t51+5.448431554270369d-1*t105*t116*t117*t45*t48*t49-1.36 2835 5 21078885675922d-1*t105*t218*t45*t47*t49-1.362107888567592 2836 6 2d-1*t105*t217*t45*t47*t49+2.7242157771351844d-1*t190*t19 2837 7 1*t218*t45*t47+t380+t379+t365+t364)-1.1132027400588386d-1 2838 8 *t106*t120*t220*t315*t43*t51-1.1132027400588386d-1*t103*t 2839 9 120*t215*t249*t43*t51+3.710675800196128d-2*t106*t120*t194 2840 : *t219*t43*t51+3.710675800196128d-2*t103*t120*t188*t216*t4 2841 ; 3*t51-1.4842703200784513d-1*t116*t118*t120*t188*t194*t43* 2842 < t51+5.448431554270369d-1*t103*t116*t240*t43*t45*t48+5.448 2843 = 431554270369d-1*t103*t116*t118*t45*t48+5.448431554270369d 2844 > -1*t118*t194*t240*t43*t45*t47+2.7242157771351844d-1*t194* 2845 ? t220*t45*t47-1.3621078885675922d-1*t103*t219*t45*t47+6.35 2846 @ 6503479982097d-1*t100*t101*t103*t240*t43*t47+t378+t377+t3 2847 1 76+t375+t360+t359+t357+t356)+1.8654414521792934d-1*t1*t11 2848 2 6*t241*t46+9.327207260896466d-2*t1*t121*t216*t46+1.865441 2849 3 4521792934d-1*t116*t121*t46+6.218138173930978d-2*t241*t42 2850 4 +1.8654414521792934d-1*t1*t121*t215*t41)*t96+t198*(-6.218 2851 5 138173930978d-2*t1*t119*t241*t42-t121*t222)+6.21813817393 2852 6 0978d-2*t1*t121*t223*t317*t42)*wght 2853 t382 = 3.109069086965489d-2*t250*t42 2854 t383 = 1/t41**7.0d+0 2855 t384 = 1/t44**7.0d+0 2856 t385 = -1.1793461818516023d-2*t100*t105*t194*t249*t384*t43 2857 t386 = 8.658243533790967d-2*t100*t103*t106*t226*t51 2858 t387 = -2.7242157771351844d-1*t103*t229*t45*t47 2859 t388 = 7.421351600392256d-2*t106*t120*t194*t229*t43*t51 2860 t389 = (t96*(3.109069086965489d-2*t1*t42*(7.421351600392256d 2861 1 -2*t103*t120*t188*t51*t99-1.0108681558728018d-2*t105*t194 2862 2 *t248*t383*t43*t99+7.421351600392256d-2*t106*t108*t120*t1 2863 3 94*t51-1.5163022338092028d-2*t105*t108*t248*t249*t315*t43 2864 4 +t388+t387+t386+t385)+9.327207260896466d-2*t1*t250*t46*t9 2865 5 9+t382)+t198*(-3.109069086965489d-2*t1*t109*t250*t42-3.10 2866 6 9069086965489d-2*t1*t121*t230*t42-t121*t231)+6.2181381739 2867 7 30978d-2*t1*t109*t247*t317*t42)*wght 2868 t390 = 6.218138173930978d-2*t1*t109*t121*t123*t317*t42 2869 t391 = 3.109069086965489d-2*t252*t42 2870 t392 = -2.3586923637032045d-2*t100*t105*t194*t249*t384*t43 2871 t393 = 1.7316487067581934d-1*t100*t103*t106*t226*t51 2872 t394 = t96*(3.109069086965489d-2*t1*t42*(1.4842703200784513d 2873 1 -1*t103*t120*t188*t51*t99-2.0217363117456036d-2*t105*t194 2874 2 *t248*t383*t43*t99+3.710675800196128d-2*t106*t120*t194*t2 2875 3 37*t43*t51+1.4842703200784513d-1*t106*t108*t120*t194*t51- 2876 4 1.3621078885675922d-1*t103*t237*t45*t47-3.032604467618405 2877 5 5d-2*t105*t108*t248*t249*t315*t43+t393+t392+t388+t387)+9. 2878 6 327207260896466d-2*t1*t252*t46*t99+t391) 2879 t395 = -3.109069086965489d-2*t1*t109*t252*t42 2880 t396 = 3.109069086965489d-2*t255*t42 2881 t397 = -4.717384727406409d-2*t100*t105*t194*t249*t384*t43 2882 t398 = 3.463297413516387d-1*t100*t103*t106*t226*t51 2883 t399 = -2.7242157771351844d-1*t103*t240*t45*t47 2884 t400 = 7.421351600392256d-2*t106*t120*t194*t240*t43*t51 2885 t401 = ((3.109069086965489d-2*t1*t42*(7.421351600392256d-2*t 2886 1 106*t118*t120*t194*t51+7.421351600392256d-2*t103*t116*t12 2887 2 0*t188*t51-1.0108681558728018d-2*t105*t116*t194*t248*t383 2888 3 *t43-1.5163022338092028d-2*t105*t118*t248*t249*t315*t43+t 2889 4 400+t399+t386+t385)+9.327207260896466d-2*t1*t116*t250*t46 2890 5 +t382)*t96+t198*(-3.109069086965489d-2*t1*t119*t250*t42-3 2891 6 .109069086965489d-2*t1*t121*t241*t42-t121*t242)+6.2181381 2892 7 73930978d-2*t1*t119*t247*t317*t42)*wght 2893 t402 = 6.218138173930978d-2*t1*t119*t121*t123*t317*t42 2894 t403 = (3.109069086965489d-2*t1*t42*(3.710675800196128d-2*t1 2895 1 06*t120*t194*t244*t43*t51+1.4842703200784513d-1*t106*t118 2896 2 *t120*t194*t51+1.4842703200784513d-1*t103*t116*t120*t188* 2897 3 t51-1.3621078885675922d-1*t103*t244*t45*t47-2.02173631174 2898 4 56036d-2*t105*t116*t194*t248*t383*t43-3.0326044676184055d 2899 5 -2*t105*t118*t248*t249*t315*t43+t400+t399+t393+t392)+9.32 2900 6 7207260896466d-2*t1*t116*t252*t46+t391)*t96 2901 t404 = -3.109069086965489d-2*t1*t119*t252*t42 2902 t405 = 1/t44**8.0d+0 2903 t406 = 1/t41**8.0d+0 2904 t407 = 3.109069086965489d-2*t1*t42*(1.5163022338092028d-2*t1 2905 1 05*t194*t248*t249-2.065367234124177d-3*t191*t315*t405*t40 2906 2 6*t43)*t96*wght+6.218138173930978d-2*t1*t121**3*t317*t42* 2907 3 wght-9.327207260896466d-2*t1*t121*t198*t250*t42*wght 2908 t408 = t198*(-6.218138173930978d-2*t1*t121*t252*t42*wght-3.1 2909 1 09069086965489d-2*t1*t123*t250*t42*wght)+3.10906908696548 2910 2 9d-2*t1*t42*(3.0326044676184055d-2*t105*t194*t248*t249-4. 2911 3 130734468248354d-3*t191*t315*t405*t406*t43)*t96*wght+6.21 2912 4 8138173930978d-2*t1*t123*t247*t317*t42*wght 2913 t409 = t198*(-3.109069086965489d-2*t1*t121*t255*t42*wght-6.2 2914 1 18138173930978d-2*t1*t123*t252*t42*wght)+3.10906908696548 2915 2 9d-2*t1*t42*(6.065208935236811d-2*t105*t194*t248*t249-8.2 2916 3 61468936496708d-3*t191*t315*t405*t406*t43)*t96*wght+6.218 2917 4 138173930978d-2*t1*t121*t254*t317*t42*wght 2918 fnc(iq) = (3.109069086965489d-2*t1*t42*t55+1.0d+0*t1*t38)*wg 2919 1 ht+fnc(iq) 2920 Amat(iq,D1_RA) = (9.327207260896466d-2*t1*t46*t55*t99+3.1090 2921 1 69086965489d-2*t1*t109*t42*t96+t95+1.0d+0*t1*t94+t110)*wg 2922 2 ht+Amat(iq,D1_RA) 2923 Amat(iq,D1_RB) = (3.109069086965489d-2*t1*t119*t42*t96+t95+9 2924 1 .327207260896466d-2*t1*t116*t46*t55+1.0d+0*t1*t115+t110)* 2925 2 wght+Amat(iq,D1_RB) 2926 Cmat(iq,D1_GAA) = t122+Cmat(iq,D1_GAA) 2927 Cmat(iq,D1_GAB) = 3.109069086965489d-2*t1*t123*t42*t96*wght+ 2928 1 Cmat(iq,D1_GAB) 2929 Cmat(iq,D1_GBB) = t122+Cmat(iq,D1_GBB) 2930 Amat2(iq,D2_RA_RA) = (1.8654414521792934d-1*t46*t55*t99+t197 2931 1 *t96+2.0d+0*t94+9.327207260896466d-2*t1*t181*t46*t55+1.86 2932 2 54414521792934d-1*t1*t178*t41*t55-3.109069086965489d-2*t1 2933 3 *t198*t199*t42+1.0d+0*t1*t177)*wght+Amat2(iq,D2_RA_RA) 2934 Amat2(iq,D2_RA_RB) = (9.327207260896466d-2*t46*t55*t99+1.865 2935 1 4414521792934d-1*t1*t116*t41*t55*t99+t207*t96+1.0d+0*t94+ 2936 2 9.327207260896466d-2*t1*t203*t46*t55+9.327207260896466d-2 2937 3 *t116*t46*t55-3.109069086965489d-2*t1*t109*t119*t198*t42+ 2938 4 1.0d+0*t1*t202+1.0d+0*t115)*wght+Amat2(iq,D2_RA_RB) 2939 Amat2(iq,D2_RB_RB) = (t222*t96+9.327207260896466d-2*t1*t216* 2940 1 t46*t55+1.8654414521792934d-1*t116*t46*t55+1.865441452179 2941 2 2934d-1*t1*t215*t41*t55-3.109069086965489d-2*t1*t198*t223 2942 3 *t42+1.0d+0*t1*t214+2.0d+0*t115)*wght+Amat2(iq,D2_RB_RB) 2943 Cmat2(iq,D2_RA_GAA) = t232+Cmat2(iq,D2_RA_GAA) 2944 Cmat2(iq,D2_RA_GAB) = (t239*t96-3.109069086965489d-2*t1*t109 2945 1 *t123*t198*t42)*wght+Cmat2(iq,D2_RA_GAB) 2946 Cmat2(iq,D2_RA_GBB) = t232+Cmat2(iq,D2_RA_GBB) 2947 Cmat2(iq,D2_RB_GAA) = t243+Cmat2(iq,D2_RB_GAA) 2948 Cmat2(iq,D2_RB_GAB) = (t246*t96-3.109069086965489d-2*t1*t119 2949 1 *t123*t198*t42)*wght+Cmat2(iq,D2_RB_GAB) 2950 Cmat2(iq,D2_RB_GBB) = t243+Cmat2(iq,D2_RB_GBB) 2951 Cmat2(iq,D2_GAA_GAA) = t251+Cmat2(iq,D2_GAA_GAA) 2952 Cmat2(iq,D2_GAA_GAB) = t253+Cmat2(iq,D2_GAA_GAB) 2953 Cmat2(iq,D2_GAA_GBB) = t251+Cmat2(iq,D2_GAA_GBB) 2954 Cmat2(iq,D2_GAB_GAB) = 3.109069086965489d-2*t1*t255*t42*t96* 2955 1 wght-3.109069086965489d-2*t1*t198*t254*t42*wght+Cmat2(iq, 2956 2 D2_GAB_GAB) 2957 Cmat2(iq,D2_GAB_GBB) = t253+Cmat2(iq,D2_GAB_GBB) 2958 Cmat2(iq,D2_GBB_GBB) = t251+Cmat2(iq,D2_GBB_GBB) 2959 Amat3(iq,D3_RA_RA_RA) = (t96*(3.109069086965489d-2*t1*t42*(- 2960 1 1.3621078885675922d-1*t103*t43*t45*t47*(-1.36210788856759 2961 2 22d-1*t105*t43*t45*t47*t49*(-1.1579028639449339d+3*t181*t 2962 3 188*t38*t99+2.8947571598623345d+2*t106*t177*t99-1.1579028 2963 4 639449339d+3*t178*t188*t94+2.8947571598623345d+2*t106*t18 2964 5 1*t94-3.216396844291483d+1*t298*t48+9.649190532874448d+1* 2965 6 t106*t302*t38+1.9298381065748896d+3*t249*t299*t38)+2.7242 2966 7 157771351844d-1*t190*t191*t192*t43*t45*t47*(1.92983810657 2967 8 48896d+2*t106*t38*t99-6.432793688582966d+1*t48*t94)+3.178 2968 9 2517399910504d-1*t101*t184*t43*t48*t51*t99-6.674328653981 2969 : 203d+0*t120*t182*t43*t48*t51*t99+2.4517941994216663d+0*t1 2970 ; 06*t181*t43*t45*t51*t99+8.172647331405554d-1*t105*t192*t4 2971 < 3*t45*t48*t49*t99+8.172647331405554d-1*t105*t189*t43*t45* 2972 = t48*t49*t99-3.813902087989258d+0*t100*t101*t105*t107*t43* 2973 > t48*t49*t99-1.6345294662811108d+0*t190*t191*t192*t43*t45* 2974 ? t48*t99-2.7242157771351844d-1*t302*t43*t45*t48*t51+1.9069 2975 @ 51043994629d+0*t100*t101*t181*t43*t48*t51-3.2690589325622 2976 1 216d+0*t188*t299*t43*t45*t51-5.720853131983887d+0*t100*t1 2977 2 01*t106*t178*t43*t51+8.172647331405554d-1*t105*t107*t181* 2978 3 t43*t45*t48*t49-1.3621078885675922d-1*t105*t314*t43*t45*t 2979 4 47*t49-4.086323665702777d-1*t105*t107*t189*t43*t45*t47*t4 2980 5 9+9.534755219973146d-1*t100*t101*t105*t192*t43*t47*t49+9. 2981 6 534755219973146d-1*t100*t101*t105*t189*t43*t47*t49+1.5891 2982 7 258699955252d-1*t101*t105*t107*t184*t43*t47*t49-3.3371643 2983 8 269906015d+0*t105*t107*t120*t182*t43*t47*t49-2.4517941994 2984 9 216663d+0*t105*t106*t107*t178*t43*t45*t49-8.1726473314055 2985 : 54d-1*t312*t313*t314*t43*t45*t47+2.7242157771351844d-1*t1 2986 ; 90*t191*t314*t43*t45*t47+8.172647331405554d-1*t107*t189*t 2987 < 190*t191*t43*t45*t47-1.906951043994629d+0*t100*t101*t190* 2988 = t191*t192*t43*t47+t311+t310+t309)+3.1782517399910504d-1*t 2989 > 101*t184*t43*t48*t53*t99-6.674328653981203d+0*t120*t182*t 2990 ? 43*t48*t53*t99+2.4517941994216663d+0*t106*t181*t43*t45*t5 2991 @ 3*t99-1.6345294662811108d+0*t194*t195*t43*t45*t48*t99+8.1 2992 1 72647331405554d-1*t103*t193*t43*t45*t48*t99-3.81390208798 2993 2 9258d+0*t100*t101*t103*t108*t43*t48*t99-2.724215777135184 2994 3 4d-1*t302*t43*t45*t48*t53+1.906951043994629d+0*t100*t101* 2995 4 t181*t43*t48*t53-3.2690589325622216d+0*t188*t299*t43*t45* 2996 5 t53-5.720853131983887d+0*t100*t101*t106*t178*t43*t53+8.17 2997 6 2647331405554d-1*t103*t108*t181*t43*t45*t48-8.17264733140 2998 7 5554d-1*t108**3*t315*t43*t45*t47+8.172647331405554d-1*t10 2999 8 8*t193*t194*t43*t45*t47-1.906951043994629d+0*t100*t101*t1 3000 9 94*t195*t43*t47+9.534755219973146d-1*t100*t101*t103*t193* 3001 : t43*t47+1.5891258699955252d-1*t101*t103*t108*t184*t43*t47 3002 ; -3.3371643269906015d+0*t103*t108*t120*t182*t43*t47-2.4517 3003 < 941994216663d+0*t103*t106*t108*t178*t43*t45+t308+t306+t30 3004 = 4)+2.7981621782689403d-1*t1*t196*t46*t99+5.59632435653788 3005 > 1d-1*t109*t46*t99+2.7981621782689403d-1*t1*t109*t181*t46+ 3006 ? 9.327207260896466d-2*t196*t42+5.596324356537881d-1*t1*t10 3007 @ 9*t178*t41)+t198*(-9.327207260896466d-2*t1*t199*t46*t99-6 3008 1 .218138173930978d-2*t1*t109*t196*t42+t316-t109*t197)+5.59 3009 2 6324356537881d-1*t1*t181*t41*t55*t99+9.327207260896466d-2 3010 3 *t1*t302*t46*t55+2.7981621782689403d-1*t181*t46*t55+5.596 3011 4 324356537881d-1*t178*t41*t55+1.8654414521792934d-1*t1*t29 3012 5 9*t55+6.218138173930978d-2*t1*t109**3*t317*t42+1.0d+0*t1* 3013 6 t298+3.0d+0*t177)*wght+Amat3(iq,D3_RA_RA_RA) 3014 Amat3(iq,D3_RA_RA_RB) = (t96*(3.109069086965489d-2*t1*t42*(- 3015 1 1.3621078885675922d-1*t103*t43*t45*t47*(-1.36210788856759 3016 2 22d-1*t105*t43*t45*t47*t49*(-7.719352426299558d+2*t116*t1 3017 3 88*t94*t99-7.719352426299558d+2*t188*t203*t38*t99+1.92983 3018 4 81065748896d+2*t106*t202*t99+1.9298381065748896d+2*t106*t 3019 5 203*t94-3.216396844291483d+1*t324*t48+9.649190532874448d+ 3020 6 1*t106*t330*t38+1.9298381065748896d+3*t116*t178*t249*t38- 3021 7 3.859676213149779d+2*t116*t181*t188*t38-3.859676213149779 3022 8 d+2*t115*t178*t188+9.649190532874448d+1*t106*t115*t181+9. 3023 9 649190532874448d+1*t106*t116*t177)+2.1188344933273667d-1* 3024 : t101*t184*t43*t48*t51*t99-4.4495524359874683d+0*t120*t182 3025 ; *t43*t48*t51*t99+1.6345294662811108d+0*t106*t203*t43*t45* 3026 < t51*t99+5.448431554270369d-1*t105*t204*t43*t45*t48*t49*t9 3027 = 9+5.448431554270369d-1*t105*t107*t117*t43*t45*t48*t49*t99 3028 > -1.2713006959964196d+0*t100*t101*t105*t107*t43*t48*t49*t9 3029 ? 9-1.6345294662811108d+0*t105*t106*t107*t116*t43*t45*t49*t 3030 @ 99-1.0896863108540737d+0*t107*t117*t190*t191*t43*t45*t48* 3031 1 t99-2.7242157771351844d-1*t330*t43*t45*t48*t51+1.05941724 3032 2 66636834d-1*t101*t116*t184*t43*t48*t51-2.2247762179937342 3033 3 d+0*t116*t120*t182*t43*t48*t51+6.356503479982097d-1*t100* 3034 4 t101*t181*t43*t48*t51-3.2690589325622216d+0*t116*t178*t18 3035 5 8*t43*t45*t51+8.172647331405554d-1*t106*t116*t181*t43*t45 3036 6 *t51-1.9069510439946294d+0*t100*t101*t106*t178*t43*t51+5. 3037 7 448431554270369d-1*t105*t107*t203*t43*t45*t48*t49+2.72421 3038 8 57771351844d-1*t105*t116*t192*t43*t45*t48*t49+2.724215777 3039 9 1351844d-1*t105*t116*t189*t43*t45*t48*t49+2.7242157771351 3040 : 844d-1*t105*t117*t181*t43*t45*t48*t49-2.7242157771351844d 3041 ; -1*t105*t107*t204*t43*t45*t47*t49-1.3621078885675922d-1*t 3042 < 105*t117*t192*t43*t45*t47*t49-1.3621078885675922d-1*t105* 3043 = t117*t189*t43*t45*t47*t49+3.1782517399910487d-1*t100*t101 3044 > *t105*t192*t43*t47*t49+3.1782517399910487d-1*t100*t101*t1 3045 ? 05*t189*t43*t47*t49+5.297086233318417d-2*t101*t105*t117*t 3046 @ 184*t43*t47*t49+1.0594172466636834d-1*t101*t105*t107*t184 3047 1 *t43*t47*t49-1.1123881089968671d+0*t105*t117*t120*t182*t4 3048 2 3*t47*t49-2.2247762179937342d+0*t105*t107*t120*t182*t43*t 3049 3 47*t49-8.172647331405554d-1*t105*t106*t117*t178*t43*t45*t 3050 4 49-5.448431554270369d-1*t116*t190*t191*t192*t43*t45*t48+2 3051 5 .7242157771351844d-1*t190*t191*t192*t342*t43*t45*t47-8.17 3052 6 2647331405554d-1*t117*t192*t312*t313*t43*t45*t47+5.448431 3053 7 554270369d-1*t107*t190*t191*t204*t43*t45*t47+2.7242157771 3054 8 351844d-1*t117*t190*t191*t192*t43*t45*t47+2.7242157771351 3055 9 844d-1*t117*t189*t190*t191*t43*t45*t47-6.356503479982097d 3056 : -1*t100*t101*t190*t191*t192*t43*t47+t341+t340+t339+t338+t 3057 ; 337+t336+t335+t311+t310+t309)+2.1188344933273667d-1*t101* 3058 < t184*t43*t48*t53*t99-4.4495524359874683d+0*t120*t182*t43* 3059 = t48*t53*t99+1.6345294662811108d+0*t106*t203*t43*t45*t53*t 3060 > 99+5.448431554270369d-1*t103*t205*t43*t45*t48*t99-1.08968 3061 ? 63108540737d+0*t108*t118*t194*t43*t45*t48*t99-1.271300695 3062 @ 9964196d+0*t100*t101*t103*t108*t43*t48*t99-1.634529466281 3063 1 1108d+0*t103*t106*t108*t116*t43*t45*t99-2.724215777135184 3064 2 4d-1*t330*t43*t45*t48*t53+1.0594172466636834d-1*t101*t116 3065 3 *t184*t43*t48*t53-2.2247762179937342d+0*t116*t120*t182*t4 3066 4 3*t48*t53+6.356503479982097d-1*t100*t101*t181*t43*t48*t53 3067 5 -3.2690589325622216d+0*t116*t178*t188*t43*t45*t53+8.17264 3068 6 7331405554d-1*t106*t116*t181*t43*t45*t53-1.90695104399462 3069 7 94d+0*t100*t101*t106*t178*t43*t53+5.448431554270369d-1*t1 3070 8 03*t108*t203*t43*t45*t48-5.448431554270369d-1*t116*t194*t 3071 9 195*t43*t45*t48+2.7242157771351844d-1*t103*t116*t193*t43* 3072 : t45*t48+2.7242157771351844d-1*t103*t118*t181*t43*t45*t48- 3073 ; 8.172647331405554d-1*t118*t195*t315*t43*t45*t47+5.4484315 3074 < 54270369d-1*t108*t194*t205*t43*t45*t47+2.7242157771351844 3075 = d-1*t118*t193*t194*t43*t45*t47-6.356503479982097d-1*t100* 3076 > t101*t194*t195*t43*t47+3.1782517399910487d-1*t100*t101*t1 3077 ? 03*t193*t43*t47+5.297086233318417d-2*t101*t103*t118*t184* 3078 @ t43*t47+1.0594172466636834d-1*t101*t103*t108*t184*t43*t47 3079 1 -1.1123881089968671d+0*t103*t118*t120*t182*t43*t47-2.2247 3080 2 762179937342d+0*t103*t108*t120*t182*t43*t47-8.17264733140 3081 3 5554d-1*t103*t106*t118*t178*t43*t45+t334+t333+t332+t331+t 3082 4 329+t328+t308+t306+t304)+1.8654414521792934d-1*t1*t206*t4 3083 5 6*t99+1.8654414521792934d-1*t109*t46*t99+3.73088290435858 3084 6 67d-1*t1*t109*t116*t41*t99+1.8654414521792934d-1*t1*t109* 3085 7 t203*t46+9.327207260896466d-2*t1*t116*t196*t46+9.32720726 3086 8 0896466d-2*t1*t119*t181*t46+3.109069086965489d-2*t196*t42 3087 9 +1.8654414521792934d-1*t1*t119*t178*t41+t327+t326+t325)+3 3088 : .7308829043585867d-1*t1*t203*t41*t55*t99+9.32720726089646 3089 ; 6d-2*t1*t330*t46*t55+9.327207260896466d-2*t181*t46*t55+1. 3090 < 8654414521792934d-1*t1*t116*t181*t41*t55+1.86544145217929 3091 = 34d-1*t178*t41*t55+1.8654414521792934d-1*t1*t116*t178*t55 3092 > +t198*(-9.327207260896466d-2*t1*t116*t199*t46-6.218138173 3093 ? 930978d-2*t1*t109*t206*t42+t316-t119*t197)+6.218138173930 3094 @ 978d-2*t1*t119*t199*t317*t42+t344+t343+1.0d+0*t1*t324+t31 3095 1 8+1.0d+0*t177)*wght+Amat3(iq,D3_RA_RA_RB) 3096 Amat3(iq,D3_RA_RB_RB) = (t96*(3.109069086965489d-2*t1*t42*(- 3097 1 1.3621078885675922d-1*t103*t43*t45*t47*(-1.36210788856759 3098 2 22d-1*t105*t43*t45*t47*t49*(1.9298381065748896d+3*t215*t2 3099 3 49*t38*t99-3.859676213149779d+2*t188*t216*t38*t99+9.64919 3100 4 0532874448d+1*t106*t214*t99-7.719352426299558d+2*t115*t11 3101 5 6*t188*t99+9.649190532874448d+1*t106*t216*t94-3.859676213 3102 6 149779d+2*t188*t215*t94-3.216396844291483d+1*t345*t48+9.6 3103 7 49190532874448d+1*t106*t346*t38-7.719352426299558d+2*t116 3104 8 *t188*t203*t38+1.9298381065748896d+2*t106*t115*t203+1.929 3105 9 8381065748896d+2*t106*t116*t202)+1.0594172466636834d-1*t1 3106 : 01*t184*t43*t48*t51*t99-2.2247762179937342d+0*t120*t182*t 3107 ; 43*t48*t51*t99+8.172647331405554d-1*t106*t216*t43*t45*t51 3108 < *t99-3.2690589325622216d+0*t188*t215*t43*t45*t51*t99+2.72 3109 = 42157771351844d-1*t105*t218*t43*t45*t48*t49*t99+2.7242157 3110 > 771351844d-1*t105*t217*t43*t45*t48*t49*t99-1.634529466281 3111 ? 1108d+0*t105*t106*t116*t117*t43*t45*t49*t99-5.44843155427 3112 @ 0369d-1*t190*t191*t218*t43*t45*t48*t99-2.7242157771351844 3113 1 d-1*t346*t43*t45*t48*t51+6.356503479982097d-1*t100*t101*t 3114 2 216*t43*t48*t51+2.1188344933273667d-1*t101*t116*t184*t43* 3115 3 t48*t51-4.4495524359874683d+0*t116*t120*t182*t43*t48*t51+ 3116 4 1.6345294662811108d+0*t106*t116*t203*t43*t45*t51-1.906951 3117 5 043994629d+0*t100*t101*t106*t215*t43*t51+2.72421577713518 3118 6 44d-1*t105*t107*t216*t43*t45*t48*t49+5.448431554270369d-1 3119 7 *t105*t116*t204*t43*t45*t48*t49+5.448431554270369d-1*t105 3120 8 *t117*t203*t43*t45*t48*t49+5.448431554270369d-1*t105*t107 3121 9 *t116*t117*t43*t45*t48*t49-1.2713006959964196d+0*t100*t10 3122 : 1*t105*t116*t117*t43*t48*t49-1.3621078885675922d-1*t105*t 3123 ; 107*t218*t43*t45*t47*t49-1.3621078885675922d-1*t105*t107* 3124 < t217*t43*t45*t47*t49-2.7242157771351844d-1*t105*t117*t204 3125 = *t43*t45*t47*t49+3.1782517399910487d-1*t100*t101*t105*t21 3126 > 8*t43*t47*t49+3.1782517399910487d-1*t100*t101*t105*t217*t 3127 ? 43*t47*t49+1.0594172466636834d-1*t101*t105*t117*t184*t43* 3128 @ t47*t49+5.297086233318417d-2*t101*t105*t107*t184*t43*t47* 3129 1 t49-2.2247762179937342d+0*t105*t117*t120*t182*t43*t47*t49 3130 2 -1.1123881089968671d+0*t105*t107*t120*t182*t43*t47*t49-8. 3131 3 172647331405554d-1*t105*t106*t107*t215*t43*t45*t49-1.0896 3132 4 863108540737d+0*t107*t116*t117*t190*t191*t43*t45*t48+2.72 3133 5 42157771351844d-1*t107*t117*t190*t191*t342*t43*t45*t47-8. 3134 6 172647331405554d-1*t107*t218*t312*t313*t43*t45*t47+2.7242 3135 7 157771351844d-1*t107*t190*t191*t218*t43*t45*t47+2.7242157 3136 8 771351844d-1*t107*t190*t191*t217*t43*t45*t47+5.4484315542 3137 9 70369d-1*t117*t190*t191*t204*t43*t45*t47-6.35650347998209 3138 : 7d-1*t100*t101*t190*t191*t218*t43*t47+t341+t340+t339+t338 3139 ; +t337+t336+t335+t311+t310+t309)+1.0594172466636834d-1*t10 3140 < 1*t184*t43*t48*t53*t99-2.2247762179937342d+0*t120*t182*t4 3141 = 3*t48*t53*t99+8.172647331405554d-1*t106*t216*t43*t45*t53* 3142 > t99-3.2690589325622216d+0*t188*t215*t43*t45*t53*t99-5.448 3143 ? 431554270369d-1*t194*t220*t43*t45*t48*t99+2.7242157771351 3144 @ 844d-1*t103*t219*t43*t45*t48*t99-1.6345294662811108d+0*t1 3145 1 03*t106*t116*t118*t43*t45*t99-2.7242157771351844d-1*t346* 3146 2 t43*t45*t48*t53+6.356503479982097d-1*t100*t101*t216*t43*t 3147 3 48*t53+2.1188344933273667d-1*t101*t116*t184*t43*t48*t53-4 3148 4 .4495524359874683d+0*t116*t120*t182*t43*t48*t53+1.6345294 3149 5 662811108d+0*t106*t116*t203*t43*t45*t53-1.906951043994629 3150 6 d+0*t100*t101*t106*t215*t43*t53+2.7242157771351844d-1*t10 3151 7 3*t108*t216*t43*t45*t48+5.448431554270369d-1*t103*t116*t2 3152 8 05*t43*t45*t48+5.448431554270369d-1*t103*t118*t203*t43*t4 3153 9 5*t48-1.0896863108540737d+0*t108*t116*t118*t194*t43*t45*t 3154 : 48-1.2713006959964196d+0*t100*t101*t103*t116*t118*t43*t48 3155 ; -8.172647331405554d-1*t108*t220*t315*t43*t45*t47+2.724215 3156 < 7771351844d-1*t108*t194*t219*t43*t45*t47+5.44843155427036 3157 = 9d-1*t118*t194*t205*t43*t45*t47-6.356503479982097d-1*t100 3158 > *t101*t194*t220*t43*t47+3.1782517399910487d-1*t100*t101*t 3159 ? 103*t219*t43*t47+1.0594172466636834d-1*t101*t103*t118*t18 3160 @ 4*t43*t47+5.297086233318417d-2*t101*t103*t108*t184*t43*t4 3161 1 7-2.2247762179937342d+0*t103*t118*t120*t182*t43*t47-1.112 3162 2 3881089968671d+0*t103*t108*t120*t182*t43*t47-8.1726473314 3163 3 05554d-1*t103*t106*t108*t215*t43*t45+t334+t333+t332+t331+ 3164 4 t329+t328+t308+t306+t304)+9.327207260896466d-2*t1*t221*t4 3165 5 6*t99+3.7308829043585867d-1*t1*t116*t119*t41*t99+9.327207 3166 6 260896466d-2*t1*t109*t216*t46+1.8654414521792934d-1*t1*t1 3167 7 16*t206*t46+1.8654414521792934d-1*t1*t119*t203*t46+1.8654 3168 8 414521792934d-1*t116*t119*t46+3.109069086965489d-2*t221*t 3169 9 42+1.8654414521792934d-1*t1*t109*t215*t41+t327+t326+t325) 3170 : +1.8654414521792934d-1*t1*t216*t41*t55*t99+1.865441452179 3171 ; 2934d-1*t1*t215*t55*t99+9.327207260896466d-2*t1*t346*t46* 3172 < t55+9.327207260896466d-2*t216*t46*t55+1.8654414521792934d 3173 = -1*t215*t41*t55+3.7308829043585867d-1*t1*t116*t203*t41*t5 3174 > 5+t198*(-9.327207260896466d-2*t1*t109*t116*t119*t46-3.109 3175 ? 069086965489d-2*t1*t109*t221*t42-3.109069086965489d-2*t1* 3176 @ t119*t206*t42-3.109069086965489d-2*t109*t119*t42-t119*t20 3177 1 7)+6.218138173930978d-2*t1*t109*t223*t317*t42+1.0d+0*t1*t 3178 2 345+t344+t343+t318+1.0d+0*t214)*wght+Amat3(iq,D3_RA_RB_RB 3179 3 ) 3180 Amat3(iq,D3_RB_RB_RB) = ((3.109069086965489d-2*t1*t42*(-2.72 3181 1 42157771351844d-1*t353*t43*t45*t48*t53+1.906951043994629d 3182 2 +0*t100*t101*t216*t43*t48*t53+3.1782517399910504d-1*t101* 3183 3 t116*t184*t43*t48*t53-6.674328653981203d+0*t116*t120*t182 3184 4 *t43*t48*t53-3.2690589325622216d+0*t188*t352*t43*t45*t53+ 3185 5 2.4517941994216663d+0*t106*t116*t216*t43*t45*t53-5.720853 3186 6 131983887d+0*t100*t101*t106*t215*t43*t53-1.36210788856759 3187 7 22d-1*t103*t43*t45*t47*(-2.7242157771351844d-1*t353*t43*t 3188 8 45*t48*t51+1.906951043994629d+0*t100*t101*t216*t43*t48*t5 3189 9 1+3.1782517399910504d-1*t101*t116*t184*t43*t48*t51-6.6743 3190 : 28653981203d+0*t116*t120*t182*t43*t48*t51-3.2690589325622 3191 ; 216d+0*t188*t352*t43*t45*t51+2.4517941994216663d+0*t106*t 3192 < 116*t216*t43*t45*t51-5.720853131983887d+0*t100*t101*t106* 3193 = t215*t43*t51-1.3621078885675922d-1*t105*t43*t45*t47*(-3.2 3194 > 16396844291483d+1*t351*t48+9.649190532874448d+1*t106*t353 3195 ? *t38+1.9298381065748896d+3*t249*t352*t38-1.15790286394493 3196 @ 39d+3*t116*t188*t216*t38+2.8947571598623345d+2*t106*t115* 3197 1 t216-1.1579028639449339d+3*t115*t188*t215+2.8947571598623 3198 2 345d+2*t106*t116*t214)*t49+8.172647331405554d-1*t105*t116 3199 3 *t218*t43*t45*t48*t49+8.172647331405554d-1*t105*t116*t217 3200 4 *t43*t45*t48*t49+8.172647331405554d-1*t105*t117*t216*t43* 3201 5 t45*t48*t49-3.813902087989258d+0*t100*t101*t105*t116*t117 3202 6 *t43*t48*t49-1.3621078885675922d-1*t105*t354*t43*t45*t47* 3203 7 t49-4.086323665702777d-1*t105*t117*t217*t43*t45*t47*t49+9 3204 8 .534755219973146d-1*t100*t101*t105*t218*t43*t47*t49+9.534 3205 9 755219973146d-1*t100*t101*t105*t217*t43*t47*t49+1.5891258 3206 : 699955252d-1*t101*t105*t117*t184*t43*t47*t49-3.3371643269 3207 ; 906015d+0*t105*t117*t120*t182*t43*t47*t49-2.4517941994216 3208 < 663d+0*t105*t106*t117*t215*t43*t45*t49-1.6345294662811108 3209 = d+0*t116*t190*t191*t218*t43*t45*t48-8.172647331405554d-1* 3210 > t312*t313*t354*t43*t45*t47+2.7242157771351844d-1*t190*t19 3211 ? 1*t354*t43*t45*t47+2.7242157771351844d-1*t190*t191*t218*t 3212 @ 342*t43*t45*t47+8.172647331405554d-1*t117*t190*t191*t217* 3213 1 t43*t45*t47-1.906951043994629d+0*t100*t101*t190*t191*t218 3214 2 *t43*t47+t311+t310+t309)-1.6345294662811108d+0*t116*t194* 3215 3 t220*t43*t45*t48+8.172647331405554d-1*t103*t116*t219*t43* 3216 4 t45*t48+8.172647331405554d-1*t103*t118*t216*t43*t45*t48-3 3217 5 .813902087989258d+0*t100*t101*t103*t116*t118*t43*t48-8.17 3218 6 2647331405554d-1*t118**3*t315*t43*t45*t47+8.1726473314055 3219 7 54d-1*t118*t194*t219*t43*t45*t47-1.906951043994629d+0*t10 3220 8 0*t101*t194*t220*t43*t47+9.534755219973146d-1*t100*t101*t 3221 9 103*t219*t43*t47+1.5891258699955252d-1*t101*t103*t118*t18 3222 : 4*t43*t47-3.3371643269906015d+0*t103*t118*t120*t182*t43*t 3223 ; 47-2.4517941994216663d+0*t103*t106*t118*t215*t43*t45+t308 3224 < +t306+t304)+2.7981621782689403d-1*t1*t116*t221*t46+2.7981 3225 = 621782689403d-1*t1*t119*t216*t46+5.596324356537881d-1*t11 3226 > 6*t119*t46+9.327207260896466d-2*t221*t42+5.59632435653788 3227 ? 1d-1*t1*t119*t215*t41)*t96+9.327207260896466d-2*t1*t353*t 3228 @ 46*t55+2.7981621782689403d-1*t216*t46*t55+5.5963243565378 3229 1 81d-1*t1*t116*t216*t41*t55+5.596324356537881d-1*t215*t41* 3230 2 t55+1.8654414521792934d-1*t1*t352*t55+t198*(-9.3272072608 3231 3 96466d-2*t1*t116*t223*t46-3.109069086965489d-2*t223*t42-6 3232 4 .218138173930978d-2*t1*t119*t221*t42-t119*t222)+6.2181381 3233 5 73930978d-2*t1*t119**3*t317*t42+1.0d+0*t1*t351+3.0d+0*t21 3234 6 4)*wght+Amat3(iq,D3_RB_RB_RB) 3235 Cmat3(iq,D3_RA_RA_GAA) = t367+Cmat3(iq,D3_RA_RA_GAA) 3236 Cmat3(iq,D3_RA_RA_GAB) = (t96*(3.109069086965489d-2*t1*t42*( 3237 1 -1.3621078885675922d-1*t103*t43*t45*t47*(2.54260139199283 3238 2 9d+0*t100*t101*t48*t51*t99+1.0896863108540737d+0*t105*t10 3239 3 7*t45*t48*t49*t99-5.448431554270369d-1*t181*t45*t48*t51+1 3240 4 .6345294662811108d+0*t106*t178*t45*t51-2.7242157771351844 3241 5 d-1*t105*t192*t45*t47*t49-2.7242157771351844d-1*t105*t189 3242 6 *t45*t47*t49+1.2713006959964196d+0*t100*t101*t105*t107*t4 3243 7 7*t49+5.448431554270369d-1*t190*t191*t192*t45*t47+t373+t3 3244 8 72)+2.542601391992839d+0*t100*t101*t48*t53*t99-3.46329741 3245 9 3516387d-1*t100*t103*t188*t226*t43*t51*t99-2.968540640156 3246 : 9026d-1*t108*t120*t188*t194*t43*t51*t99+5.448431554270369 3247 ; d-1*t103*t237*t43*t45*t48*t99+1.0896863108540737d+0*t103* 3248 < t108*t45*t48*t99-5.448431554270369d-1*t181*t45*t48*t53+1. 3249 = 6345294662811108d+0*t106*t178*t45*t53-2.2264054801176772d 3250 > -1*t106*t120*t195*t315*t43*t51-2.2264054801176772d-1*t103 3251 ? *t120*t178*t249*t43*t51-3.463297413516387d-1*t100*t106*t1 3252 @ 08*t194*t226*t43*t51+7.421351600392256d-2*t106*t120*t193* 3253 1 t194*t43*t51+7.421351600392256d-2*t103*t120*t181*t188*t43 3254 2 *t51+5.448431554270369d-1*t108*t194*t237*t43*t45*t47+5.44 3255 3 8431554270369d-1*t194*t195*t45*t47-2.7242157771351844d-1* 3256 4 t103*t193*t45*t47+6.356503479982097d-1*t100*t101*t103*t23 3257 5 7*t43*t47+1.2713006959964196d+0*t100*t101*t103*t108*t47+t 3258 6 371+t370+t369+t368)+1.8654414521792934d-1*t1*t238*t46*t99 3259 7 +1.8654414521792934d-1*t123*t46*t99+9.327207260896466d-2* 3260 8 t1*t123*t181*t46+6.218138173930978d-2*t238*t42+1.86544145 3261 9 21792934d-1*t1*t123*t178*t41)+t198*(-6.218138173930978d-2 3262 : *t1*t109*t238*t42-t123*t197)+6.218138173930978d-2*t1*t123 3263 ; *t199*t317*t42)*wght+Cmat3(iq,D3_RA_RA_GAB) 3264 Cmat3(iq,D3_RA_RA_GBB) = t367+Cmat3(iq,D3_RA_RA_GBB) 3265 Cmat3(iq,D3_RA_RB_GAA) = t374+Cmat3(iq,D3_RA_RB_GAA) 3266 Cmat3(iq,D3_RA_RB_GAB) = (t96*(3.109069086965489d-2*t1*t42*( 3267 1 -1.3621078885675922d-1*t103*t43*t45*t47*(1.63452946628111 3268 2 08d+0*t106*t116*t45*t51*t99+5.448431554270369d-1*t105*t11 3269 3 7*t45*t48*t49*t99-5.448431554270369d-1*t203*t45*t48*t51+5 3270 4 .448431554270369d-1*t105*t107*t116*t45*t48*t49-2.72421577 3271 5 71351844d-1*t105*t204*t45*t47*t49-2.7242157771351844d-1*t 3272 6 105*t107*t117*t45*t47*t49+5.448431554270369d-1*t107*t117* 3273 7 t190*t191*t45*t47+t380+t379+t373+t372+t366+t363)+1.634529 3274 8 4662811108d+0*t106*t116*t45*t53*t99-2.2264054801176772d-1 3275 9 *t103*t116*t120*t249*t43*t51*t99-1.4842703200784513d-1*t1 3276 : 18*t120*t188*t194*t43*t51*t99+2.7242157771351844d-1*t103* 3277 ; t244*t43*t45*t48*t99+5.448431554270369d-1*t103*t118*t45*t 3278 < 48*t99-5.448431554270369d-1*t203*t45*t48*t53-2.2264054801 3279 = 176772d-1*t106*t108*t118*t120*t315*t43*t51+7.421351600392 3280 > 256d-2*t106*t120*t194*t205*t43*t51+7.421351600392256d-2*t 3281 ? 103*t120*t188*t203*t43*t51-1.4842703200784513d-1*t108*t11 3282 @ 6*t120*t188*t194*t43*t51+2.7242157771351844d-1*t103*t116* 3283 1 t237*t43*t45*t48+5.448431554270369d-1*t103*t108*t116*t45* 3284 2 t48+2.7242157771351844d-1*t108*t194*t244*t43*t45*t47+2.72 3285 3 42157771351844d-1*t118*t194*t237*t43*t45*t47-2.7242157771 3286 4 351844d-1*t103*t205*t45*t47+5.448431554270369d-1*t108*t11 3287 5 8*t194*t45*t47+3.1782517399910487d-1*t100*t101*t103*t244* 3288 6 t43*t47+3.1782517399910487d-1*t100*t101*t103*t237*t43*t47 3289 7 +t378+t377+t376+t375+t371+t370+t369+t368+t362+t361+t358+t 3290 8 355)+9.327207260896466d-2*t1*t245*t46*t99+9.3272072608964 3291 9 66d-2*t123*t46*t99+1.8654414521792934d-1*t1*t116*t123*t41 3292 : *t99+9.327207260896466d-2*t1*t116*t238*t46+9.327207260896 3293 ; 466d-2*t1*t123*t203*t46+9.327207260896466d-2*t116*t123*t4 3294 < 6+3.109069086965489d-2*t245*t42+3.109069086965489d-2*t238 3295 = *t42)+t198*(-3.109069086965489d-2*t1*t109*t245*t42-3.1090 3296 > 69086965489d-2*t1*t119*t238*t42-t123*t207)+6.218138173930 3297 ? 978d-2*t1*t109*t119*t123*t317*t42)*wght+Cmat3(iq,D3_RA_RB 3298 @ _GAB) 3299 Cmat3(iq,D3_RA_RB_GBB) = t374+Cmat3(iq,D3_RA_RB_GBB) 3300 Cmat3(iq,D3_RB_RB_GAA) = t381+Cmat3(iq,D3_RB_RB_GAA) 3301 Cmat3(iq,D3_RB_RB_GAB) = ((3.109069086965489d-2*t1*t42*(-5.4 3302 1 48431554270369d-1*t216*t45*t48*t53+2.542601391992839d+0*t 3303 2 100*t101*t116*t48*t53+1.6345294662811108d+0*t106*t215*t45 3304 3 *t53-1.3621078885675922d-1*t103*t43*t45*t47*(-5.448431554 3305 4 270369d-1*t216*t45*t48*t51+2.542601391992839d+0*t100*t101 3306 5 *t116*t48*t51+1.6345294662811108d+0*t106*t215*t45*t51+1.0 3307 6 896863108540737d+0*t105*t116*t117*t45*t48*t49-2.724215777 3308 7 1351844d-1*t105*t218*t45*t47*t49-2.7242157771351844d-1*t1 3309 8 05*t217*t45*t47*t49+1.2713006959964196d+0*t100*t101*t105* 3310 9 t117*t47*t49+5.448431554270369d-1*t190*t191*t218*t45*t47+ 3311 : t373+t372)-2.2264054801176772d-1*t106*t120*t220*t315*t43* 3312 ; t51-2.2264054801176772d-1*t103*t120*t215*t249*t43*t51-3.4 3313 < 63297413516387d-1*t100*t106*t118*t194*t226*t43*t51-3.4632 3314 = 97413516387d-1*t100*t103*t116*t188*t226*t43*t51+7.4213516 3315 > 00392256d-2*t106*t120*t194*t219*t43*t51+7.421351600392256 3316 ? d-2*t103*t120*t188*t216*t43*t51-2.9685406401569026d-1*t11 3317 @ 6*t118*t120*t188*t194*t43*t51+5.448431554270369d-1*t103*t 3318 1 116*t244*t43*t45*t48+1.0896863108540737d+0*t103*t116*t118 3319 2 *t45*t48+5.448431554270369d-1*t118*t194*t244*t43*t45*t47+ 3320 3 5.448431554270369d-1*t194*t220*t45*t47-2.7242157771351844 3321 4 d-1*t103*t219*t45*t47+6.356503479982097d-1*t100*t101*t103 3322 5 *t244*t43*t47+1.2713006959964196d+0*t100*t101*t103*t118*t 3323 6 47+t371+t370+t369+t368)+1.8654414521792934d-1*t1*t116*t24 3324 7 5*t46+9.327207260896466d-2*t1*t123*t216*t46+1.86544145217 3325 8 92934d-1*t116*t123*t46+6.218138173930978d-2*t245*t42+1.86 3326 9 54414521792934d-1*t1*t123*t215*t41)*t96+t198*(-6.21813817 3327 : 3930978d-2*t1*t119*t245*t42-t123*t222)+6.218138173930978d 3328 ; -2*t1*t123*t223*t317*t42)*wght+Cmat3(iq,D3_RB_RB_GAB) 3329 Cmat3(iq,D3_RB_RB_GBB) = t381+Cmat3(iq,D3_RB_RB_GBB) 3330 Cmat3(iq,D3_RA_GAA_GAA) = t389+Cmat3(iq,D3_RA_GAA_GAA) 3331 Cmat3(iq,D3_RA_GAA_GAB) = (t198*(-3.109069086965489d-2*t1*t1 3332 1 21*t238*t42+t395-t123*t231)+t394+t390)*wght+Cmat3(iq,D3_R 3333 2 A_GAA_GAB) 3334 Cmat3(iq,D3_RA_GAA_GBB) = t389+Cmat3(iq,D3_RA_GAA_GBB) 3335 Cmat3(iq,D3_RA_GAB_GAB) = (t96*(3.109069086965489d-2*t1*t42* 3336 1 (2.9685406401569026d-1*t103*t120*t188*t51*t99-4.043472623 3337 2 491207d-2*t105*t194*t248*t383*t43*t99+1.4842703200784513d 3338 3 -1*t106*t120*t194*t237*t43*t51+2.9685406401569026d-1*t106 3339 4 *t108*t120*t194*t51-5.448431554270369d-1*t103*t237*t45*t4 3340 5 7-6.065208935236811d-2*t105*t108*t248*t249*t315*t43+t398+ 3341 6 t397)+9.327207260896466d-2*t1*t255*t46*t99+t396)+t198*(-3 3342 7 .109069086965489d-2*t1*t109*t255*t42-3.109069086965489d-2 3343 8 *t1*t123*t238*t42-t123*t239)+6.218138173930978d-2*t1*t109 3344 9 *t254*t317*t42)*wght+Cmat3(iq,D3_RA_GAB_GAB) 3345 Cmat3(iq,D3_RA_GAB_GBB) = (t198*(-3.109069086965489d-2*t1*t1 3346 1 23*t230*t42+t395-t121*t239)+t394+t390)*wght+Cmat3(iq,D3_R 3347 2 A_GAB_GBB) 3348 Cmat3(iq,D3_RA_GBB_GBB) = t389+Cmat3(iq,D3_RA_GBB_GBB) 3349 Cmat3(iq,D3_RB_GAA_GAA) = t401+Cmat3(iq,D3_RB_GAA_GAA) 3350 Cmat3(iq,D3_RB_GAA_GAB) = (t198*(-3.109069086965489d-2*t1*t1 3351 1 21*t245*t42+t404-t123*t242)+t403+t402)*wght+Cmat3(iq,D3_R 3352 2 B_GAA_GAB) 3353 Cmat3(iq,D3_RB_GAA_GBB) = t401+Cmat3(iq,D3_RB_GAA_GBB) 3354 Cmat3(iq,D3_RB_GAB_GAB) = ((3.109069086965489d-2*t1*t42*(1.4 3355 1 842703200784513d-1*t106*t120*t194*t244*t43*t51+2.96854064 3356 2 01569026d-1*t106*t118*t120*t194*t51+2.9685406401569026d-1 3357 3 *t103*t116*t120*t188*t51-5.448431554270369d-1*t103*t244*t 3358 4 45*t47-4.043472623491207d-2*t105*t116*t194*t248*t383*t43- 3359 5 6.065208935236811d-2*t105*t118*t248*t249*t315*t43+t398+t3 3360 6 97)+9.327207260896466d-2*t1*t116*t255*t46+t396)*t96+t198* 3361 7 (-3.109069086965489d-2*t1*t119*t255*t42-3.109069086965489 3362 8 d-2*t1*t123*t245*t42-t123*t246)+6.218138173930978d-2*t1*t 3363 9 119*t254*t317*t42)*wght+Cmat3(iq,D3_RB_GAB_GAB) 3364 Cmat3(iq,D3_RB_GAB_GBB) = (t198*(-3.109069086965489d-2*t1*t1 3365 1 23*t241*t42+t404-t121*t246)+t403+t402)*wght+Cmat3(iq,D3_R 3366 2 B_GAB_GBB) 3367 Cmat3(iq,D3_RB_GBB_GBB) = t401+Cmat3(iq,D3_RB_GBB_GBB) 3368 Cmat3(iq,D3_GAA_GAA_GAA) = t407+Cmat3(iq,D3_GAA_GAA_GAA) 3369 Cmat3(iq,D3_GAA_GAA_GAB) = t408+Cmat3(iq,D3_GAA_GAA_GAB) 3370 Cmat3(iq,D3_GAA_GAA_GBB) = t407+Cmat3(iq,D3_GAA_GAA_GBB) 3371 Cmat3(iq,D3_GAA_GAB_GAB) = t409+Cmat3(iq,D3_GAA_GAB_GAB) 3372 Cmat3(iq,D3_GAA_GAB_GBB) = t408+Cmat3(iq,D3_GAA_GAB_GBB) 3373 Cmat3(iq,D3_GAA_GBB_GBB) = t407+Cmat3(iq,D3_GAA_GBB_GBB) 3374 Cmat3(iq,D3_GAB_GAB_GAB) = 3.109069086965489d-2*t1*t42*(1.21 3375 1 30417870473623d-1*t105*t194*t248*t249-1.6522937872993415d 3376 2 -2*t191*t315*t405*t406*t43)*t96*wght+6.218138173930978d-2 3377 3 *t1*t123**3*t317*t42*wght-9.327207260896466d-2*t1*t123*t1 3378 4 98*t255*t42*wght+Cmat3(iq,D3_GAB_GAB_GAB) 3379 Cmat3(iq,D3_GAB_GAB_GBB) = t409+Cmat3(iq,D3_GAB_GAB_GBB) 3380 Cmat3(iq,D3_GAB_GBB_GBB) = t408+Cmat3(iq,D3_GAB_GBB_GBB) 3381 Cmat3(iq,D3_GBB_GBB_GBB) = t407+Cmat3(iq,D3_GBB_GBB_GBB) 3382 elseif (rhoa.gt.tol_rho.and.rhob.le.tol_rho) then 3383 t1 = rhoa**3.333333333333333d-1 3384 t2 = t1**5.0d-1 3385 t3 = 1/t2 3386 t4 = 1.530901310039024d-2*t3+1.0465751434d-1 3387 t5 = 7.876233178997433d-1*t3*t4+1.9269083139d-1 3388 t6 = 7.876233178997433d-1*t3*t5+4.3896648423d-1 3389 t7 = 1/t6 3390 t8 = 1.269642451250142d+0*t2*t7+1.0d+0 3391 t9 = log(t8) 3392 t10 = 1/t1 3393 t11 = 1.2746961887000874d-1*t10+1.0d+0 3394 t12 = 2.4141993114533214d-2*t3+1.0186556948d-1 3395 t13 = 7.876233178997433d-1*t12*t3+2.2308199064d-1 3396 t14 = 7.876233178997433d-1*t13*t3+4.7231125998d-1 3397 t15 = 1/t14 3398 t16 = 1.269642451250142d+0*t15*t2+1.0d+0 3399 t17 = log(t16) 3400 t18 = 1.325688999052018d-1*t10+1.0d+0 3401 t19 = 1.3212998810398843d-2*t3+2.9729725188d-2 3402 t20 = 7.876233178997433d-1*t19*t3+1.2236585478d-1 3403 t21 = 7.876233178997433d-1*t20*t3+3.497952466d-1 3404 t22 = 1/t21 3405 t23 = 1.269642451250142d+0*t2*t22+1.0d+0 3406 t24 = log(t23) 3407 t25 = 6.901399211255826d-2*t10+1.0d+0 3408 t26 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(6. 3409 1 21814d-2*t17*t18-3.10907d-2*t11*t9)-3.37738d-2*t24*t25)+3 3410 2 .37738d-2*t24*t25)-6.21814d-2*t17*t18 3411 t27 = rhoa**1.1666666666666667d+0 3412 t28 = 1/t27**2.0d+0 3413 t29 = exp(-6.432793688582967d+1*t26) 3414 t30 = t29-1.0d+0 3415 t31 = 1/t30 3416 t32 = 2.1622114952063792d-1*gammaaa*t28*t31+1.0d+0 3417 t33 = 1/t32 3418 t34 = 2.1622114952063792d-1*gammaaa*t28*t33+1.0d+0 3419 t35 = log(t34) 3420 t36 = 1/rhoa**1.3333333333333333d+0 3421 t37 = 1/t8 3422 t38 = 1/t6**2 3423 t39 = 1/rhoa**1.3333333333333336d+0 3424 t40 = 1/t2**3 3425 t41 = 1/rhoa**6.666666666666667d-1 3426 t42 = -1.3127055298329054d-1*t4*t40*t41-2.0096226153166658d- 3427 1 3*t39 3428 t43 = 7.876233178997433d-1*t3*t42-1.3127055298329054d-1*t40* 3429 1 t41*t5 3430 t44 = 2.11607075208357d-1*t3*t41*t7-1.269642451250142d+0*t2* 3431 1 t38*t43 3432 t45 = 1/t16 3433 t46 = 1/t14**2 3434 t47 = -1.3127055298329054d-1*t12*t40*t41-3.169132786263567d- 3435 1 3*t39 3436 t48 = 7.876233178997433d-1*t3*t47-1.3127055298329054d-1*t13* 3437 1 t40*t41 3438 t49 = 2.11607075208357d-1*t15*t3*t41-1.269642451250142d+0*t2 3439 1 *t46*t48 3440 t50 = 1/t23 3441 t51 = 1/t21**2 3442 t52 = -1.3127055298329054d-1*t19*t40*t41-1.7344776604086162d 3443 1 -3*t39 3444 t53 = 7.876233178997433d-1*t3*t52-1.3127055298329054d-1*t20* 3445 1 t40*t41 3446 t54 = 2.11607075208357d-1*t22*t3*t41-1.269642451250142d+0*t2 3447 1 *t51*t53 3448 t55 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(1. 3449 1 3210398931339265d-3*t36*t9+6.21814d-2*t18*t45*t49-3.10907 3450 2 d-2*t11*t37*t44-2.747773264188438d-3*t17*t36)-3.37738d-2* 3451 3 t25*t50*t54+7.769549222703733d-4*t24*t36)+3.37738d-2*t25* 3452 4 t50*t54-7.769549222703733d-4*t24*t36)-6.21814d-2*t18*t45* 3453 5 t49+2.747773264188438d-3*t17*t36 3454 t56 = 1/t34 3455 t57 = rhoa**1.6666666666666674d-1 3456 t58 = 1/t27**3.0d+0 3457 t59 = 1/t32**2 3458 t60 = 1/t30**2 3459 t61 = 1.3909060459745137d+1*gammaaa*t28*t29*t55*t60-5.045160 3460 1 155481552d-1*gammaaa*t31*t57*t58 3461 t62 = -2.1622114952063792d-1*gammaaa*t28*t59*t61-5.045160155 3462 1 481552d-1*gammaaa*t33*t57*t58 3463 t63 = 1/t27**4.0d+0 3464 t64 = 2.1622114952063792d-1*t28*t33-4.675158550002606d-2*gam 3465 1 maaa*t31*t59*t63 3466 t65 = 1/rhoa**2.333333333333333d+0 3467 t66 = 1/t8**2 3468 t67 = t44**2 3469 t68 = 1/t6**3 3470 t69 = t43**2 3471 t70 = 1/rhoa**2.3333333333333334d+0 3472 t71 = 1/rhoa**1.6666666666666669d+0 3473 t72 = 1/t2**5 3474 t73 = 6.563527649164527d-2*t39*t4*t72+8.751370198886037d-2*t 3475 1 4*t40*t71+3.0144339229749983d-3*t70 3476 t74 = 7.876233178997433d-1*t3*t73+6.563527649164527d-2*t39*t 3477 1 5*t72+8.751370198886037d-2*t40*t5*t71-2.625411059665811d- 3478 2 1*t40*t41*t42 3479 t75 = -1.269642451250142d+0*t2*t38*t74-1.4107138347223802d-1 3480 1 *t3*t7*t71-3.52678458680595d-2*t39*t40*t7+2.5392849025002 3481 2 84d+0*t2*t68*t69-4.23214150416714d-1*t3*t38*t41*t43 3482 t76 = 1/t16**2 3483 t77 = t49**2 3484 t78 = 1/t14**3 3485 t79 = t48**2 3486 t80 = 6.563527649164527d-2*t12*t39*t72+8.751370198886037d-2* 3487 1 t12*t40*t71+4.753699179395351d-3*t70 3488 t81 = 7.876233178997433d-1*t3*t80+6.563527649164527d-2*t13*t 3489 1 39*t72+8.751370198886037d-2*t13*t40*t71-2.625411059665811 3490 2 d-1*t40*t41*t47 3491 t82 = -1.269642451250142d+0*t2*t46*t81+2.539284902500284d+0* 3492 1 t2*t78*t79-1.4107138347223802d-1*t15*t3*t71-4.23214150416 3493 2 714d-1*t3*t41*t46*t48-3.52678458680595d-2*t15*t39*t40 3494 t83 = 1/t23**2 3495 t84 = t54**2 3496 t85 = 1/t21**3 3497 t86 = t53**2 3498 t87 = 6.563527649164527d-2*t19*t39*t72+8.751370198886037d-2* 3499 1 t19*t40*t71+2.601716490612924d-3*t70 3500 t88 = 7.876233178997433d-1*t3*t87+6.563527649164527d-2*t20*t 3501 1 39*t72+8.751370198886037d-2*t20*t40*t71-2.625411059665811 3502 2 d-1*t40*t41*t52 3503 t89 = -1.269642451250142d+0*t2*t51*t88+2.539284902500284d+0* 3504 1 t2*t85*t86-1.4107138347223802d-1*t22*t3*t71-4.23214150416 3505 2 714d-1*t3*t41*t51*t53-3.52678458680595d-2*t22*t39*t40 3506 t90 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(-1 3507 1 .7613865241785687d-3*t65*t9+6.21814d-2*t18*t45*t82-6.2181 3508 2 4d-2*t18*t76*t77-3.10907d-2*t11*t37*t75+3.10907d-2*t11*t6 3509 3 6*t67+3.663697685584584d-3*t17*t65-5.495546528376876d-3*t 3510 4 36*t45*t49+2.642079786267853d-3*t36*t37*t44)-3.37738d-2*t 3511 5 25*t50*t89+3.37738d-2*t25*t83*t84-1.0359398963604977d-3*t 3512 6 24*t65+1.5539098445407465d-3*t36*t50*t54)+3.37738d-2*t25* 3513 7 t50*t89-3.37738d-2*t25*t83*t84+1.0359398963604977d-3*t24* 3514 8 t65-1.5539098445407465d-3*t36*t50*t54)-6.21814d-2*t18*t45 3515 9 *t82+6.21814d-2*t18*t76*t77-3.663697685584584d-3*t17*t65+ 3516 : 5.495546528376876d-3*t36*t45*t49 3517 t91 = rhoa**3.333333333333335d-1 3518 t92 = 1/rhoa**8.333333333333333d-1 3519 t93 = t55**2 3520 t94 = exp(-1.2865587377165935d+2*t26) 3521 t95 = 1/t30**3 3522 t96 = 1.7894823267913484d+3*gammaaa*t28*t93*t94*t95-8.947411 3523 1 633956742d+2*gammaaa*t28*t29*t60*t93-8.408600259135923d-2 3524 2 *gammaaa*t31*t58*t92+1.765806054418543d+0*gammaaa*t31*t63 3525 3 *t91+1.3909060459745137d+1*gammaaa*t28*t29*t60*t90-6.4908 3526 4 94881214397d+1*gammaaa*t29*t55*t57*t58*t60 3527 t97 = 1/t32**3 3528 t98 = t61**2 3529 t99 = 4.3244229904127585d-1*gammaaa*t28*t97*t98-2.1622114952 3530 1 063792d-1*gammaaa*t28*t59*t96-8.408600259135923d-2*gammaa 3531 2 a*t33*t58*t92+1.765806054418543d+0*gammaaa*t33*t63*t91+1. 3532 3 0090320310963104d+0*gammaaa*t57*t58*t59*t61 3533 t100 = 1.5545345434827443d-2*rhoa*t99+3.1090690869654886d-2* 3534 1 t62 3535 t101 = 1/t34**2 3536 t102 = t62**2 3537 t103 = 1/t27**5.0d+0 3538 t104 = 1.3909060459745137d+1*t28*t29*t55*t60-5.0451601554815 3539 1 52d-1*t31*t57*t58 3540 t105 = 9.350317100005212d-2*gammaaa*t31*t61*t63*t97-2.162211 3541 1 4952063792d-1*t28*t59*t61+1.0908703283339415d-1*gammaaa*t 3542 2 103*t31*t57*t59-2.1622114952063792d-1*gammaaa*t104*t28*t5 3543 3 9-5.045160155481552d-1*t33*t57*t58 3544 t106 = 1.5545345434827443d-2*t64+1.5545345434827443d-2*rhoa* 3545 1 t105 3546 t107 = t64**2 3547 t108 = 1/t27**6.0d+0 3548 t109 = 2.0217363117456047d-2*gammaaa*t108*t60*t97-9.35031710 3549 1 0005212d-2*t31*t59*t63 3550 t110 = 1/rhoa**3.333333333333333d+0 3551 t111 = 1/rhoa**3.3333333333333337d+0 3552 t112 = 1/rhoa**2.666666666666667d+0 3553 t113 = 1/t2**7 3554 t114 = 1/rhoa**2.0d+0 3555 t115 = 1/t16**3 3556 t116 = t49**3 3557 t117 = 7.617854707500852d+0*t2*t48*t78*t81-6.34821225625071d 3558 1 -1*t3*t41*t46*t81-1.269642451250142d+0*t2*t46*(-3.9381165 3559 2 894987163d-1*t40*t41*t80+7.876233178997433d-1*t3*(-1.3127 3560 3 055298329054d-1*t12*t70*t72-1.4585616998143394d-1*t112*t1 3561 4 2*t40-5.469606374303773d-2*t113*t114*t12-1.17081850159181 3562 5 81d-2*t111)-1.3127055298329054d-1*t13*t70*t72+1.969058294 3563 6 7493582d-1*t39*t47*t72+2.625411059665811d-1*t40*t47*t71-1 3564 7 .4585616998143394d-1*t112*t13*t40-5.469606374303773d-2*t1 3565 8 13*t114*t13)+1.269642451250142d+0*t3*t41*t78*t79+1.763392 3566 9 293402975d-2*t114*t15*t72+4.2321415041671406d-1*t3*t46*t4 3567 : 8*t71+7.053569173611901d-2*t15*t40*t70-7.617854707500852d 3568 ; +0*t2*t48**3/t14**4+1.0580353760417849d-1*t39*t40*t46*t48 3569 < +2.3511897245373004d-1*t112*t15*t3 3570 t118 = 1/t23**3 3571 t119 = t54**3 3572 t120 = 7.617854707500852d+0*t2*t53*t85*t88-6.34821225625071d 3573 1 -1*t3*t41*t51*t88-1.269642451250142d+0*t2*t51*(-3.9381165 3574 2 894987163d-1*t40*t41*t87+7.876233178997433d-1*t3*(-1.3127 3575 3 055298329054d-1*t19*t70*t72-1.4585616998143394d-1*t112*t1 3576 4 9*t40-5.469606374303773d-2*t113*t114*t19-6.40793135650961 3577 5 1d-3*t111)-1.3127055298329054d-1*t20*t70*t72+1.9690582947 3578 6 493582d-1*t39*t52*t72+2.625411059665811d-1*t40*t52*t71-1. 3579 7 4585616998143394d-1*t112*t20*t40-5.469606374303773d-2*t11 3580 8 3*t114*t20)+1.269642451250142d+0*t3*t41*t85*t86+1.7633922 3581 9 93402975d-2*t114*t22*t72+4.2321415041671406d-1*t3*t51*t53 3582 : *t71+7.053569173611901d-2*t22*t40*t70-7.617854707500852d+ 3583 ; 0*t2*t53**3/t21**4+1.0580353760417849d-1*t39*t40*t51*t53+ 3584 < 2.3511897245373004d-1*t112*t22*t3 3585 t121 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(4 3586 1 .1099018897499934d-3*t110*t9-1.865442d-1*t18*t49*t76*t82- 3587 2 8.243319792565315d-3*t36*t45*t82-6.21814d-2*t11*t44**3/t8 3588 3 **3+8.243319792565315d-3*t36*t76*t77+9.327209999999999d-2 3589 4 *t11*t44*t66*t75+3.96311967940178d-3*t36*t37*t75-3.10907d 3590 5 -2*t11*t37*(7.617854707500852d+0*t2*t43*t68*t74-6.3482122 3591 6 5625071d-1*t3*t38*t41*t74-1.269642451250142d+0*t2*t38*(-3 3592 7 .9381165894987163d-1*t40*t41*t73+7.876233178997433d-1*t3* 3593 8 (-1.3127055298329054d-1*t4*t70*t72-1.4585616998143394d-1* 3594 9 t112*t4*t40-5.469606374303773d-2*t113*t114*t4-7.424439106 3595 : 586571d-3*t111)-1.3127055298329054d-1*t5*t70*t72+1.969058 3596 ; 2947493582d-1*t39*t42*t72+2.625411059665811d-1*t40*t42*t7 3597 < 1-1.4585616998143394d-1*t112*t40*t5-5.469606374303773d-2* 3598 = t113*t114*t5)+1.763392293402975d-2*t114*t7*t72+4.23214150 3599 > 41671406d-1*t3*t38*t43*t71+7.053569173611901d-2*t40*t7*t7 3600 ? 0+2.3511897245373004d-1*t112*t3*t7+1.269642451250142d+0*t 3601 @ 3*t41*t68*t69-7.617854707500852d+0*t2*t43**3/t6**4+1.0580 3602 1 353760417849d-1*t38*t39*t40*t43)-3.96311967940178d-3*t36* 3603 2 t66*t67+1.0991093056753751d-2*t45*t49*t65-5.2841595725357 3604 3 06d-3*t37*t44*t65+6.21814d-2*t117*t18*t45+1.243628d-1*t11 3605 4 5*t116*t18-8.548627933030694d-3*t110*t17)+1.013214d-1*t25 3606 5 *t54*t83*t89+2.33086476681112d-3*t36*t50*t89-2.3308647668 3607 6 1112d-3*t36*t83*t84-3.107819689081493d-3*t50*t54*t65-3.37 3608 7 738d-2*t120*t25*t50-6.75476d-2*t118*t119*t25+2.4171930915 3609 8 078277d-3*t110*t24)-1.013214d-1*t25*t54*t83*t89-2.3308647 3610 9 6681112d-3*t36*t50*t89+2.33086476681112d-3*t36*t83*t84+3. 3611 : 107819689081493d-3*t50*t54*t65+3.37738d-2*t120*t25*t50+6. 3612 ; 75476d-2*t118*t119*t25-2.4171930915078277d-3*t110*t24)+1. 3613 < 865442d-1*t18*t49*t76*t82+8.243319792565315d-3*t36*t45*t8 3614 = 2-8.243319792565315d-3*t36*t76*t77-1.0991093056753751d-2* 3615 > t45*t49*t65-6.21814d-2*t117*t18*t45-1.243628d-1*t115*t116 3616 ? *t18+8.548627933030694d-3*t110*t17 3617 t122 = rhoa**5.000000000000002d-1 3618 t123 = 1/rhoa**6.666666666666665d-1 3619 t124 = 1/rhoa**1.8333333333333332d+0 3620 t125 = t55**3 3621 t126 = 1/t32**4 3622 t127 = 1/t34**3 3623 fnc(iq) = (1.5545345434827443d-2*rhoa*t35+1.0d+0*rhoa*t26)*w 3624 1 ght+fnc(iq) 3625 Amat(iq,D1_RA) = (1.5545345434827443d-2*rhoa*t56*t62+1.0d+0* 3626 1 rhoa*t55+1.5545345434827443d-2*t35+1.0d+0*t26)*wght+Amat( 3627 2 iq,D1_RA) 3628 Cmat(iq,D1_GAA) = 1.5545345434827443d-2*rhoa*t56*t64*wght+Cm 3629 1 at(iq,D1_GAA) 3630 Amat2(iq,D2_RA_RA) = (1.0d+0*rhoa*t90+t100*t56+2.0d+0*t55-1. 3631 1 5545345434827443d-2*rhoa*t101*t102)*wght+Amat2(iq,D2_RA_R 3632 2 A) 3633 Cmat2(iq,D2_RA_GAA) = (t106*t56-1.5545345434827443d-2*rhoa*t 3634 1 101*t62*t64)*wght+Cmat2(iq,D2_RA_GAA) 3635 Cmat2(iq,D2_GAA_GAA) = 1.5545345434827443d-2*rhoa*t109*t56*w 3636 1 ght-1.5545345434827443d-2*rhoa*t101*t107*wght+Cmat2(iq,D2 3637 2 _GAA_GAA) 3638 Amat3(iq,D3_RA_RA_RA) = (t101*(-3.1090690869654886d-2*rhoa*t 3639 1 62*t99-t100*t62-1.5545345434827443d-2*t102)+t56*(4.663603 3640 2 6304482326d-2*t99+1.5545345434827443d-2*rhoa*(-3.02709609 3641 3 3288931d+0*gammaaa*t57*t58*t97*t98+1.2973268971238278d+0* 3642 4 gammaaa*t28*t61*t96*t97+1.5135480466444656d+0*gammaaa*t57 3643 5 *t58*t59*t96-2.1622114952063792d-1*gammaaa*t28*t59*(-1.25 3644 6 2637628753944d+4*gammaaa*t57*t58*t93*t94*t95+5.3684469803 3645 7 74045d+3*gammaaa*t28*t55*t90*t94*t95-3.453411185284245d+5 3646 8 *gammaaa*t125*t28*t94*t95+6.263188143769719d+3*gammaaa*t2 3647 9 9*t57*t58*t60*t93-1.6227237203036002d+1*gammaaa*t29*t55*t 3648 : 58*t60*t92+3.4077198126375585d+2*gammaaa*t29*t55*t60*t63* 3649 ; t91-9.736342321821596d+1*gammaaa*t29*t57*t58*t60*t90-2.68 3650 < 42234901870227d+3*gammaaa*t28*t29*t55*t60*t90+8.829030272 3651 = 092719d-1*gammaaa*t123*t31*t63+5.755685308807075d+4*gamma 3652 > aa*t125*t28*t29*t60+1.3909060459745137d+1*gammaaa*t121*t2 3653 ? 8*t29*t60+7.007166882613269d-2*gammaaa*t124*t31*t58-8.240 3654 @ 428253953201d+0*gammaaa*t103*t122*t31+3.453411185284245d+ 3655 1 5*gammaaa*t125*exp(-1.92983810657489d+2*t26)*t28/t30**4)+ 3656 2 2.522580077740777d-1*gammaaa*t58*t59*t61*t92-5.2974181632 3657 3 55629d+0*gammaaa*t59*t61*t63*t91+8.829030272092719d-1*gam 3658 4 maaa*t123*t33*t63-1.2973268971238278d+0*gammaaa*t126*t28* 3659 5 t61**3+7.007166882613269d-2*gammaaa*t124*t33*t58-8.240428 3660 6 253953201d+0*gammaaa*t103*t122*t33))+3.0d+0*t90+3.1090690 3661 7 869654886d-2*rhoa*t127*t62**3+1.0d+0*rhoa*t121)*wght+Amat 3662 8 3(iq,D3_RA_RA_RA) 3663 Cmat3(iq,D3_RA_RA_GAA) = (t56*(1.5545345434827443d-2*rhoa*(4 3664 1 .3244229904127585d-1*t28*t97*t98-2.805095130001564d-1*gam 3665 2 maaa*t126*t31*t63*t98+9.350317100005212d-2*gammaaa*t31*t6 3666 3 3*t96*t97-4.363481313335766d-1*gammaaa*t103*t31*t57*t61*t 3667 4 97+8.648845980825517d-1*gammaaa*t104*t28*t61*t97-2.162211 3668 5 4952063792d-1*t28*t59*t96-2.1622114952063792d-1*gammaaa*t 3669 6 28*t59*(1.7894823267913484d+3*t28*t93*t94*t95-8.947411633 3670 7 956742d+2*t28*t29*t60*t93-8.408600259135923d-2*t31*t58*t9 3671 8 2+1.765806054418543d+0*t31*t63*t91+1.3909060459745137d+1* 3672 9 t28*t29*t60*t90-6.490894881214397d+1*t29*t55*t57*t58*t60) 3673 : +1.8181172138899032d-2*gammaaa*t103*t31*t59*t92-8.4086002 3674 ; 59135923d-2*t33*t58*t92+1.765806054418543d+0*t33*t63*t91- 3675 < 3.818046149168795d-1*gammaaa*t108*t31*t59*t91+1.009032031 3676 = 0963104d+0*t57*t58*t59*t61+1.0090320310963104d+0*gammaaa* 3677 > t104*t57*t58*t59)+3.1090690869654886d-2*t105)+t101*(-t100 3678 ? *t64-3.1090690869654886d-2*rhoa*t105*t62)+3.1090690869654 3679 @ 886d-2*rhoa*t102*t127*t64)*wght+Cmat3(iq,D3_RA_RA_GAA) 3680 Cmat3(iq,D3_RA_GAA_GAA) = (t56*(1.5545345434827443d-2*rhoa*( 3681 1 1.8700634200010424d-1*t31*t61*t63*t97+1.8700634200010424d 3682 2 -1*gammaaa*t104*t31*t63*t97-4.7173847274064107d-2*gammaaa 3683 3 *t57*t60*t97/t27**7.0d+0-6.065208935236814d-2*gammaaa*t10 3684 4 8*t126*t60*t61+2.181740656667883d-1*t103*t31*t57*t59-4.32 3685 5 44229904127585d-1*t104*t28*t59)+1.5545345434827443d-2*t10 3686 6 9)+t101*(-t106*t64-1.5545345434827443d-2*rhoa*t105*t64-1. 3687 7 5545345434827443d-2*rhoa*t109*t62)+3.1090690869654886d-2* 3688 8 rhoa*t107*t127*t62)*wght+Cmat3(iq,D3_RA_GAA_GAA) 3689 Cmat3(iq,D3_GAA_GAA_GAA) = 1.5545345434827443d-2*rhoa*t56*(6 3690 1 .065208935236814d-2*t108*t60*t97-1.3114264480597485d-2*ga 3691 2 mmaaa*t126*t95/t27**8.0d+0)*wght+3.1090690869654886d-2*rh 3692 3 oa*t127*t64**3*wght-4.6636036304482326d-2*rhoa*t101*t109* 3693 4 t64*wght+Cmat3(iq,D3_GAA_GAA_GAA) 3694 elseif (rhoa.le.tol_rho.and.rhob.gt.tol_rho) then 3695 t1 = rhob**3.333333333333333d-1 3696 t2 = t1**5.0d-1 3697 t3 = 1/t2 3698 t4 = 1.530901310039024d-2*t3+1.0465751434d-1 3699 t5 = 7.876233178997433d-1*t3*t4+1.9269083139d-1 3700 t6 = 7.876233178997433d-1*t3*t5+4.3896648423d-1 3701 t7 = 1/t6 3702 t8 = 1.269642451250142d+0*t2*t7+1.0d+0 3703 t9 = log(t8) 3704 t10 = 1/t1 3705 t11 = 1.2746961887000874d-1*t10+1.0d+0 3706 t12 = 2.4141993114533214d-2*t3+1.0186556948d-1 3707 t13 = 7.876233178997433d-1*t12*t3+2.2308199064d-1 3708 t14 = 7.876233178997433d-1*t13*t3+4.7231125998d-1 3709 t15 = 1/t14 3710 t16 = 1.269642451250142d+0*t15*t2+1.0d+0 3711 t17 = log(t16) 3712 t18 = 1.325688999052018d-1*t10+1.0d+0 3713 t19 = 1.3212998810398843d-2*t3+2.9729725188d-2 3714 t20 = 7.876233178997433d-1*t19*t3+1.2236585478d-1 3715 t21 = 7.876233178997433d-1*t20*t3+3.497952466d-1 3716 t22 = 1/t21 3717 t23 = 1.269642451250142d+0*t2*t22+1.0d+0 3718 t24 = log(t23) 3719 t25 = 6.901399211255826d-2*t10+1.0d+0 3720 t26 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(6. 3721 1 21814d-2*t17*t18-3.10907d-2*t11*t9)-3.37738d-2*t24*t25)+3 3722 2 .37738d-2*t24*t25)-6.21814d-2*t17*t18 3723 t27 = rhob**1.1666666666666667d+0 3724 t28 = 1/t27**2.0d+0 3725 t29 = exp(-6.432793688582967d+1*t26) 3726 t30 = t29-1.0d+0 3727 t31 = 1/t30 3728 t32 = 2.1622114952063792d-1*gammabb*t28*t31+1.0d+0 3729 t33 = 1/t32 3730 t34 = 2.1622114952063792d-1*gammabb*t28*t33+1.0d+0 3731 t35 = log(t34) 3732 t36 = 1/rhob**1.3333333333333333d+0 3733 t37 = 1/t8 3734 t38 = 1/t6**2 3735 t39 = 1/rhob**1.3333333333333336d+0 3736 t40 = 1/t2**3 3737 t41 = 1/rhob**6.666666666666667d-1 3738 t42 = -1.3127055298329054d-1*t4*t40*t41-2.0096226153166658d- 3739 1 3*t39 3740 t43 = 7.876233178997433d-1*t3*t42-1.3127055298329054d-1*t40* 3741 1 t41*t5 3742 t44 = 2.11607075208357d-1*t3*t41*t7-1.269642451250142d+0*t2* 3743 1 t38*t43 3744 t45 = 1/t16 3745 t46 = 1/t14**2 3746 t47 = -1.3127055298329054d-1*t12*t40*t41-3.169132786263567d- 3747 1 3*t39 3748 t48 = 7.876233178997433d-1*t3*t47-1.3127055298329054d-1*t13* 3749 1 t40*t41 3750 t49 = 2.11607075208357d-1*t15*t3*t41-1.269642451250142d+0*t2 3751 1 *t46*t48 3752 t50 = 1/t23 3753 t51 = 1/t21**2 3754 t52 = -1.3127055298329054d-1*t19*t40*t41-1.7344776604086162d 3755 1 -3*t39 3756 t53 = 7.876233178997433d-1*t3*t52-1.3127055298329054d-1*t20* 3757 1 t40*t41 3758 t54 = 2.11607075208357d-1*t22*t3*t41-1.269642451250142d+0*t2 3759 1 *t51*t53 3760 t55 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(1. 3761 1 3210398931339265d-3*t36*t9+6.21814d-2*t18*t45*t49-3.10907 3762 2 d-2*t11*t37*t44-2.747773264188438d-3*t17*t36)-3.37738d-2* 3763 3 t25*t50*t54+7.769549222703733d-4*t24*t36)+3.37738d-2*t25* 3764 4 t50*t54-7.769549222703733d-4*t24*t36)-6.21814d-2*t18*t45* 3765 5 t49+2.747773264188438d-3*t17*t36 3766 t56 = 1/t34 3767 t57 = rhob**1.6666666666666674d-1 3768 t58 = 1/t27**3.0d+0 3769 t59 = 1/t32**2 3770 t60 = 1/t30**2 3771 t61 = 1.3909060459745137d+1*gammabb*t28*t29*t55*t60-5.045160 3772 1 155481552d-1*gammabb*t31*t57*t58 3773 t62 = -2.1622114952063792d-1*gammabb*t28*t59*t61-5.045160155 3774 1 481552d-1*gammabb*t33*t57*t58 3775 t63 = 1/t27**4.0d+0 3776 t64 = 2.1622114952063792d-1*t28*t33-4.675158550002606d-2*gam 3777 1 mabb*t31*t59*t63 3778 t65 = 1/rhob**2.333333333333333d+0 3779 t66 = 1/t8**2 3780 t67 = t44**2 3781 t68 = 1/t6**3 3782 t69 = t43**2 3783 t70 = 1/rhob**2.3333333333333334d+0 3784 t71 = 1/rhob**1.6666666666666669d+0 3785 t72 = 1/t2**5 3786 t73 = 6.563527649164527d-2*t39*t4*t72+8.751370198886037d-2*t 3787 1 4*t40*t71+3.0144339229749983d-3*t70 3788 t74 = 7.876233178997433d-1*t3*t73+6.563527649164527d-2*t39*t 3789 1 5*t72+8.751370198886037d-2*t40*t5*t71-2.625411059665811d- 3790 2 1*t40*t41*t42 3791 t75 = -1.269642451250142d+0*t2*t38*t74-1.4107138347223802d-1 3792 1 *t3*t7*t71-3.52678458680595d-2*t39*t40*t7+2.5392849025002 3793 2 84d+0*t2*t68*t69-4.23214150416714d-1*t3*t38*t41*t43 3794 t76 = 1/t16**2 3795 t77 = t49**2 3796 t78 = 1/t14**3 3797 t79 = t48**2 3798 t80 = 6.563527649164527d-2*t12*t39*t72+8.751370198886037d-2* 3799 1 t12*t40*t71+4.753699179395351d-3*t70 3800 t81 = 7.876233178997433d-1*t3*t80+6.563527649164527d-2*t13*t 3801 1 39*t72+8.751370198886037d-2*t13*t40*t71-2.625411059665811 3802 2 d-1*t40*t41*t47 3803 t82 = -1.269642451250142d+0*t2*t46*t81+2.539284902500284d+0* 3804 1 t2*t78*t79-1.4107138347223802d-1*t15*t3*t71-4.23214150416 3805 2 714d-1*t3*t41*t46*t48-3.52678458680595d-2*t15*t39*t40 3806 t83 = 1/t23**2 3807 t84 = t54**2 3808 t85 = 1/t21**3 3809 t86 = t53**2 3810 t87 = 6.563527649164527d-2*t19*t39*t72+8.751370198886037d-2* 3811 1 t19*t40*t71+2.601716490612924d-3*t70 3812 t88 = 7.876233178997433d-1*t3*t87+6.563527649164527d-2*t20*t 3813 1 39*t72+8.751370198886037d-2*t20*t40*t71-2.625411059665811 3814 2 d-1*t40*t41*t52 3815 t89 = -1.269642451250142d+0*t2*t51*t88+2.539284902500284d+0* 3816 1 t2*t85*t86-1.4107138347223802d-1*t22*t3*t71-4.23214150416 3817 2 714d-1*t3*t41*t51*t53-3.52678458680595d-2*t22*t39*t40 3818 t90 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(-1 3819 1 .7613865241785687d-3*t65*t9+6.21814d-2*t18*t45*t82-6.2181 3820 2 4d-2*t18*t76*t77-3.10907d-2*t11*t37*t75+3.10907d-2*t11*t6 3821 3 6*t67+3.663697685584584d-3*t17*t65-5.495546528376876d-3*t 3822 4 36*t45*t49+2.642079786267853d-3*t36*t37*t44)-3.37738d-2*t 3823 5 25*t50*t89+3.37738d-2*t25*t83*t84-1.0359398963604977d-3*t 3824 6 24*t65+1.5539098445407465d-3*t36*t50*t54)+3.37738d-2*t25* 3825 7 t50*t89-3.37738d-2*t25*t83*t84+1.0359398963604977d-3*t24* 3826 8 t65-1.5539098445407465d-3*t36*t50*t54)-6.21814d-2*t18*t45 3827 9 *t82+6.21814d-2*t18*t76*t77-3.663697685584584d-3*t17*t65+ 3828 : 5.495546528376876d-3*t36*t45*t49 3829 t91 = rhob**3.333333333333335d-1 3830 t92 = 1/rhob**8.333333333333333d-1 3831 t93 = t55**2 3832 t94 = exp(-1.2865587377165935d+2*t26) 3833 t95 = 1/t30**3 3834 t96 = 1.7894823267913484d+3*gammabb*t28*t93*t94*t95-8.947411 3835 1 633956742d+2*gammabb*t28*t29*t60*t93-8.408600259135923d-2 3836 2 *gammabb*t31*t58*t92+1.765806054418543d+0*gammabb*t31*t63 3837 3 *t91+1.3909060459745137d+1*gammabb*t28*t29*t60*t90-6.4908 3838 4 94881214397d+1*gammabb*t29*t55*t57*t58*t60 3839 t97 = 1/t32**3 3840 t98 = t61**2 3841 t99 = 4.3244229904127585d-1*gammabb*t28*t97*t98-2.1622114952 3842 1 063792d-1*gammabb*t28*t59*t96-8.408600259135923d-2*gammab 3843 2 b*t33*t58*t92+1.765806054418543d+0*gammabb*t33*t63*t91+1. 3844 3 0090320310963104d+0*gammabb*t57*t58*t59*t61 3845 t100 = 1.5545345434827443d-2*rhob*t99+3.1090690869654886d-2* 3846 1 t62 3847 t101 = 1/t34**2 3848 t102 = t62**2 3849 t103 = 1/t27**5.0d+0 3850 t104 = 1.3909060459745137d+1*t28*t29*t55*t60-5.0451601554815 3851 1 52d-1*t31*t57*t58 3852 t105 = 9.350317100005212d-2*gammabb*t31*t61*t63*t97-2.162211 3853 1 4952063792d-1*t28*t59*t61+1.0908703283339415d-1*gammabb*t 3854 2 103*t31*t57*t59-2.1622114952063792d-1*gammabb*t104*t28*t5 3855 3 9-5.045160155481552d-1*t33*t57*t58 3856 t106 = 1.5545345434827443d-2*t64+1.5545345434827443d-2*rhob* 3857 1 t105 3858 t107 = t64**2 3859 t108 = 1/t27**6.0d+0 3860 t109 = 2.0217363117456047d-2*gammabb*t108*t60*t97-9.35031710 3861 1 0005212d-2*t31*t59*t63 3862 t110 = 1/rhob**3.333333333333333d+0 3863 t111 = 1/rhob**3.3333333333333337d+0 3864 t112 = 1/rhob**2.666666666666667d+0 3865 t113 = 1/t2**7 3866 t114 = 1/rhob**2.0d+0 3867 t115 = 1/t16**3 3868 t116 = t49**3 3869 t117 = 7.617854707500852d+0*t2*t48*t78*t81-6.34821225625071d 3870 1 -1*t3*t41*t46*t81-1.269642451250142d+0*t2*t46*(-3.9381165 3871 2 894987163d-1*t40*t41*t80+7.876233178997433d-1*t3*(-1.3127 3872 3 055298329054d-1*t12*t70*t72-1.4585616998143394d-1*t112*t1 3873 4 2*t40-5.469606374303773d-2*t113*t114*t12-1.17081850159181 3874 5 81d-2*t111)-1.3127055298329054d-1*t13*t70*t72+1.969058294 3875 6 7493582d-1*t39*t47*t72+2.625411059665811d-1*t40*t47*t71-1 3876 7 .4585616998143394d-1*t112*t13*t40-5.469606374303773d-2*t1 3877 8 13*t114*t13)+1.269642451250142d+0*t3*t41*t78*t79+1.763392 3878 9 293402975d-2*t114*t15*t72+4.2321415041671406d-1*t3*t46*t4 3879 : 8*t71+7.053569173611901d-2*t15*t40*t70-7.617854707500852d 3880 ; +0*t2*t48**3/t14**4+1.0580353760417849d-1*t39*t40*t46*t48 3881 < +2.3511897245373004d-1*t112*t15*t3 3882 t118 = 1/t23**3 3883 t119 = t54**3 3884 t120 = 7.617854707500852d+0*t2*t53*t85*t88-6.34821225625071d 3885 1 -1*t3*t41*t51*t88-1.269642451250142d+0*t2*t51*(-3.9381165 3886 2 894987163d-1*t40*t41*t87+7.876233178997433d-1*t3*(-1.3127 3887 3 055298329054d-1*t19*t70*t72-1.4585616998143394d-1*t112*t1 3888 4 9*t40-5.469606374303773d-2*t113*t114*t19-6.40793135650961 3889 5 1d-3*t111)-1.3127055298329054d-1*t20*t70*t72+1.9690582947 3890 6 493582d-1*t39*t52*t72+2.625411059665811d-1*t40*t52*t71-1. 3891 7 4585616998143394d-1*t112*t20*t40-5.469606374303773d-2*t11 3892 8 3*t114*t20)+1.269642451250142d+0*t3*t41*t85*t86+1.7633922 3893 9 93402975d-2*t114*t22*t72+4.2321415041671406d-1*t3*t51*t53 3894 : *t71+7.053569173611901d-2*t22*t40*t70-7.617854707500852d+ 3895 ; 0*t2*t53**3/t21**4+1.0580353760417849d-1*t39*t40*t51*t53+ 3896 < 2.3511897245373004d-1*t112*t22*t3 3897 t121 = 5.848223622634643d-1*(1.0d+0*(1.709920934161365d+0*(4 3898 1 .1099018897499934d-3*t110*t9-1.865442d-1*t18*t49*t76*t82- 3899 2 8.243319792565315d-3*t36*t45*t82-6.21814d-2*t11*t44**3/t8 3900 3 **3+8.243319792565315d-3*t36*t76*t77+9.327209999999999d-2 3901 4 *t11*t44*t66*t75+3.96311967940178d-3*t36*t37*t75-3.10907d 3902 5 -2*t11*t37*(7.617854707500852d+0*t2*t43*t68*t74-6.3482122 3903 6 5625071d-1*t3*t38*t41*t74-1.269642451250142d+0*t2*t38*(-3 3904 7 .9381165894987163d-1*t40*t41*t73+7.876233178997433d-1*t3* 3905 8 (-1.3127055298329054d-1*t4*t70*t72-1.4585616998143394d-1* 3906 9 t112*t4*t40-5.469606374303773d-2*t113*t114*t4-7.424439106 3907 : 586571d-3*t111)-1.3127055298329054d-1*t5*t70*t72+1.969058 3908 ; 2947493582d-1*t39*t42*t72+2.625411059665811d-1*t40*t42*t7 3909 < 1-1.4585616998143394d-1*t112*t40*t5-5.469606374303773d-2* 3910 = t113*t114*t5)+1.763392293402975d-2*t114*t7*t72+4.23214150 3911 > 41671406d-1*t3*t38*t43*t71+7.053569173611901d-2*t40*t7*t7 3912 ? 0+2.3511897245373004d-1*t112*t3*t7+1.269642451250142d+0*t 3913 @ 3*t41*t68*t69-7.617854707500852d+0*t2*t43**3/t6**4+1.0580 3914 1 353760417849d-1*t38*t39*t40*t43)-3.96311967940178d-3*t36* 3915 2 t66*t67+1.0991093056753751d-2*t45*t49*t65-5.2841595725357 3916 3 06d-3*t37*t44*t65+6.21814d-2*t117*t18*t45+1.243628d-1*t11 3917 4 5*t116*t18-8.548627933030694d-3*t110*t17)+1.013214d-1*t25 3918 5 *t54*t83*t89+2.33086476681112d-3*t36*t50*t89-2.3308647668 3919 6 1112d-3*t36*t83*t84-3.107819689081493d-3*t50*t54*t65-3.37 3920 7 738d-2*t120*t25*t50-6.75476d-2*t118*t119*t25+2.4171930915 3921 8 078277d-3*t110*t24)-1.013214d-1*t25*t54*t83*t89-2.3308647 3922 9 6681112d-3*t36*t50*t89+2.33086476681112d-3*t36*t83*t84+3. 3923 : 107819689081493d-3*t50*t54*t65+3.37738d-2*t120*t25*t50+6. 3924 ; 75476d-2*t118*t119*t25-2.4171930915078277d-3*t110*t24)+1. 3925 < 865442d-1*t18*t49*t76*t82+8.243319792565315d-3*t36*t45*t8 3926 = 2-8.243319792565315d-3*t36*t76*t77-1.0991093056753751d-2* 3927 > t45*t49*t65-6.21814d-2*t117*t18*t45-1.243628d-1*t115*t116 3928 ? *t18+8.548627933030694d-3*t110*t17 3929 t122 = rhob**5.000000000000002d-1 3930 t123 = 1/rhob**6.666666666666665d-1 3931 t124 = 1/rhob**1.8333333333333332d+0 3932 t125 = t55**3 3933 t126 = 1/t32**4 3934 t127 = 1/t34**3 3935 fnc(iq) = (1.5545345434827443d-2*rhob*t35+1.0d+0*rhob*t26)*w 3936 1 ght+fnc(iq) 3937 Amat(iq,D1_RB) = (1.5545345434827443d-2*rhob*t56*t62+1.0d+0* 3938 1 rhob*t55+1.5545345434827443d-2*t35+1.0d+0*t26)*wght+Amat( 3939 2 iq,D1_RB) 3940 Cmat(iq,D1_GBB) = 1.5545345434827443d-2*rhob*t56*t64*wght+Cm 3941 1 at(iq,D1_GBB) 3942 Amat2(iq,D2_RB_RB) = (1.0d+0*rhob*t90+t100*t56+2.0d+0*t55-1. 3943 1 5545345434827443d-2*rhob*t101*t102)*wght+Amat2(iq,D2_RB_R 3944 2 B) 3945 Cmat2(iq,D2_RB_GBB) = (t106*t56-1.5545345434827443d-2*rhob*t 3946 1 101*t62*t64)*wght+Cmat2(iq,D2_RB_GBB) 3947 Cmat2(iq,D2_GBB_GBB) = 1.5545345434827443d-2*rhob*t109*t56*w 3948 1 ght-1.5545345434827443d-2*rhob*t101*t107*wght+Cmat2(iq,D2 3949 2 _GBB_GBB) 3950 Amat3(iq,D3_RB_RB_RB) = (t101*(-3.1090690869654886d-2*rhob*t 3951 1 62*t99-t100*t62-1.5545345434827443d-2*t102)+t56*(4.663603 3952 2 6304482326d-2*t99+1.5545345434827443d-2*rhob*(-3.02709609 3953 3 3288931d+0*gammabb*t57*t58*t97*t98+1.2973268971238278d+0* 3954 4 gammabb*t28*t61*t96*t97+1.5135480466444656d+0*gammabb*t57 3955 5 *t58*t59*t96-2.1622114952063792d-1*gammabb*t28*t59*(-1.25 3956 6 2637628753944d+4*gammabb*t57*t58*t93*t94*t95+5.3684469803 3957 7 74045d+3*gammabb*t28*t55*t90*t94*t95-3.453411185284245d+5 3958 8 *gammabb*t125*t28*t94*t95+6.263188143769719d+3*gammabb*t2 3959 9 9*t57*t58*t60*t93-1.6227237203036002d+1*gammabb*t29*t55*t 3960 : 58*t60*t92+3.4077198126375585d+2*gammabb*t29*t55*t60*t63* 3961 ; t91-9.736342321821596d+1*gammabb*t29*t57*t58*t60*t90-2.68 3962 < 42234901870227d+3*gammabb*t28*t29*t55*t60*t90+8.829030272 3963 = 092719d-1*gammabb*t123*t31*t63+5.755685308807075d+4*gamma 3964 > bb*t125*t28*t29*t60+1.3909060459745137d+1*gammabb*t121*t2 3965 ? 8*t29*t60+7.007166882613269d-2*gammabb*t124*t31*t58-8.240 3966 @ 428253953201d+0*gammabb*t103*t122*t31+3.453411185284245d+ 3967 1 5*gammabb*t125*exp(-1.92983810657489d+2*t26)*t28/t30**4)+ 3968 2 2.522580077740777d-1*gammabb*t58*t59*t61*t92-5.2974181632 3969 3 55629d+0*gammabb*t59*t61*t63*t91+8.829030272092719d-1*gam 3970 4 mabb*t123*t33*t63-1.2973268971238278d+0*gammabb*t126*t28* 3971 5 t61**3+7.007166882613269d-2*gammabb*t124*t33*t58-8.240428 3972 6 253953201d+0*gammabb*t103*t122*t33))+3.0d+0*t90+3.1090690 3973 7 869654886d-2*rhob*t127*t62**3+1.0d+0*rhob*t121)*wght+Amat 3974 8 3(iq,D3_RB_RB_RB) 3975 Cmat3(iq,D3_RB_RB_GBB) = (t56*(1.5545345434827443d-2*rhob*(4 3976 1 .3244229904127585d-1*t28*t97*t98-2.805095130001564d-1*gam 3977 2 mabb*t126*t31*t63*t98+9.350317100005212d-2*gammabb*t31*t6 3978 3 3*t96*t97-4.363481313335766d-1*gammabb*t103*t31*t57*t61*t 3979 4 97+8.648845980825517d-1*gammabb*t104*t28*t61*t97-2.162211 3980 5 4952063792d-1*t28*t59*t96-2.1622114952063792d-1*gammabb*t 3981 6 28*t59*(1.7894823267913484d+3*t28*t93*t94*t95-8.947411633 3982 7 956742d+2*t28*t29*t60*t93-8.408600259135923d-2*t31*t58*t9 3983 8 2+1.765806054418543d+0*t31*t63*t91+1.3909060459745137d+1* 3984 9 t28*t29*t60*t90-6.490894881214397d+1*t29*t55*t57*t58*t60) 3985 : +1.8181172138899032d-2*gammabb*t103*t31*t59*t92-8.4086002 3986 ; 59135923d-2*t33*t58*t92+1.765806054418543d+0*t33*t63*t91- 3987 < 3.818046149168795d-1*gammabb*t108*t31*t59*t91+1.009032031 3988 = 0963104d+0*t57*t58*t59*t61+1.0090320310963104d+0*gammabb* 3989 > t104*t57*t58*t59)+3.1090690869654886d-2*t105)+t101*(-t100 3990 ? *t64-3.1090690869654886d-2*rhob*t105*t62)+3.1090690869654 3991 @ 886d-2*rhob*t102*t127*t64)*wght+Cmat3(iq,D3_RB_RB_GBB) 3992 Cmat3(iq,D3_RB_GBB_GBB) = (t56*(1.5545345434827443d-2*rhob*( 3993 1 1.8700634200010424d-1*t31*t61*t63*t97+1.8700634200010424d 3994 2 -1*gammabb*t104*t31*t63*t97-4.7173847274064107d-2*gammabb 3995 3 *t57*t60*t97/t27**7.0d+0-6.065208935236814d-2*gammabb*t10 3996 4 8*t126*t60*t61+2.181740656667883d-1*t103*t31*t57*t59-4.32 3997 5 44229904127585d-1*t104*t28*t59)+1.5545345434827443d-2*t10 3998 6 9)+t101*(-t106*t64-1.5545345434827443d-2*rhob*t105*t64-1. 3999 7 5545345434827443d-2*rhob*t109*t62)+3.1090690869654886d-2* 4000 8 rhob*t107*t127*t62)*wght+Cmat3(iq,D3_RB_GBB_GBB) 4001 Cmat3(iq,D3_GBB_GBB_GBB) = 1.5545345434827443d-2*rhob*t56*(6 4002 1 .065208935236814d-2*t108*t60*t97-1.3114264480597485d-2*ga 4003 2 mmabb*t126*t95/t27**8.0d+0)*wght+3.1090690869654886d-2*rh 4004 3 ob*t127*t64**3*wght-4.6636036304482326d-2*rhob*t101*t109* 4005 4 t64*wght+Cmat3(iq,D3_GBB_GBB_GBB) 4006 endif ! rhoa.gt.tol_rho.and.rhob.gt.tol_rho 4007 endif ! ipol.eq.1 4008 enddo ! iq 4009 end 4010C> @} 4011