/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
H A D | i0201AB.cc | 29 double t26; in i0201eAB() local 109 t26=t25+t23; in i0201eAB() 115 t22=t19+t26; in i0201eAB() 117 t26=t1*t19; in i0201eAB() 123 t29=t26*t5; in i0201eAB() 137 t5=t26*t7; in i0201eAB() 138 t8=t26*t5; in i0201eAB() 155 t7=t26*t12; in i0201eAB() 186 t4=t26*t2; in i0201eAB() 190 t2=t26*t8; in i0201eAB() [all …]
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H A D | i1201AB.cc | 29 double t26; in i1201eAB() local 105 t26=t25+t23; in i1201eAB() 110 t22=t19+t26; in i1201eAB() 112 t26=t1*t19; in i1201eAB() 118 t29=t26*t5; in i1201eAB() 132 t5=t26*t7; in i1201eAB() 133 t8=t26*t5; in i1201eAB() 150 t7=t26*t12; in i1201eAB() 181 t4=t26*t2; in i1201eAB() 185 t2=t26*t8; in i1201eAB() [all …]
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H A D | i3301AB.cc | 29 double t26; in i3301eAB() local 138 t26=t9+t34; in i3301eAB() 139 t9=t2*t26; in i3301eAB() 308 t39=t8+t26; in i3301eAB() 313 t26=t10+t8; in i3301eAB() 318 t8=t21+t26; in i3301eAB() 347 t3=t50*t26; in i3301eAB() 351 t26=t4+t3; in i3301eAB() 353 t4=t3+t26; in i3301eAB() 373 t26=t3+t6; in i3301eAB() [all …]
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H A D | i3311AB.cc | 29 double t26; in i3311eAB() local 120 t27=t26+t19; in i3311eAB() 122 t26=t13*t19; in i3311eAB() 128 t31=t29+t26; in i3311eAB() 129 t26=t1*t27; in i3311eAB() 131 t32=t29+t26; in i3311eAB() 257 t19=t26+t3; in i3311eAB() 262 t26=t19+t3; in i3311eAB() 263 t3=t42*t26; in i3311eAB() 269 t26=t15*t3; in i3311eAB() [all …]
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H A D | i2311.cc | 29 double t26; in i2311() local 142 t12=t10+t26; in i2311() 144 t26=t10+t23; in i2311() 146 t27=t10+t26; in i2311() 148 t26=t10+t25; in i2311() 150 t25=t10+t26; in i2311() 198 t26=t2*t32; in i2311() 201 t26=t2*t42; in i2311() 203 t26=t5*t35; in i2311() 205 t26=t2*t43; in i2311() [all …]
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H A D | i0303.cc | 29 double t26; in i0303() local 373 t26=t24+t23; in i0303() 374 t23=t3*t26; in i0303() 467 t44=t30*t26; in i0303() 479 t44=t5*t26; in i0303() 537 t63=t45*t26; in i0303() 643 t98=t72*t26; in i0303() 878 t48=t88*t26; in i0303() 880 t48=t45*t26; in i0303() 2141 t26=t9*t57; in i0303() [all …]
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H A D | i3311.cc | 29 double t26; in i3311() local 142 t12=t10+t26; in i3311() 144 t26=t10+t23; in i3311() 146 t27=t10+t26; in i3311() 148 t26=t10+t25; in i3311() 150 t25=t10+t26; in i3311() 194 t26=t2*t32; in i3311() 197 t26=t2*t42; in i3311() 199 t26=t5*t35; in i3311() 201 t26=t2*t43; in i3311() [all …]
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H A D | i1311.cc | 29 double t26; in i1311() local 146 t12=t10+t26; in i1311() 148 t26=t10+t23; in i1311() 150 t27=t10+t26; in i1311() 152 t26=t10+t25; in i1311() 154 t25=t10+t26; in i1311() 203 t26=t2*t32; in i1311() 206 t26=t2*t42; in i1311() 208 t26=t5*t35; in i1311() 210 t26=t2*t43; in i1311() [all …]
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H A D | i0311.cc | 29 double t26; in i0311() local 149 t12=t10+t26; in i0311() 151 t26=t10+t23; in i0311() 153 t27=t10+t26; in i0311() 155 t26=t10+t25; in i0311() 157 t25=t10+t26; in i0311() 207 t26=t2*t32; in i0311() 210 t26=t2*t42; in i0311() 212 t26=t5*t35; in i0311() 214 t26=t2*t43; in i0311() [all …]
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H A D | i1313.cc | 29 double t26; in i1313() local 363 t26=t24+t23; in i1313() 364 t23=t3*t26; in i1313() 448 t44=t30*t26; in i1313() 460 t44=t5*t26; in i1313() 518 t61=t44*t26; in i1313() 624 t96=t70*t26; in i1313() 857 t48=t86*t26; in i1313() 859 t48=t44*t26; in i1313() 2077 t26=t9*t55; in i1313() [all …]
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H A D | i0313.cc | 29 double t26; in i0313() local 364 t26=t24+t23; in i0313() 365 t23=t3*t26; in i0313() 458 t44=t30*t26; in i0313() 470 t44=t5*t26; in i0313() 528 t61=t44*t26; in i0313() 634 t96=t70*t26; in i0313() 869 t48=t86*t26; in i0313() 871 t48=t44*t26; in i0313() 2100 t26=t9*t55; in i0313() [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | fun-lg93.c | 277 t26 = 1/t5; in lg93_second_helper() 324 t7*t38*t28)*t26*t35*t36+0.033298666666667*t43*t26*t35*t27+ in lg93_second_helper() 403 t26 = 1/t5; in lg93_third_helper() 464 t45-0.024350299324*t48*t26*t49*t36+0.024974*t56*t26*t35*t36+ in lg93_third_helper() 483 t24*t26/pow(rhoa,1.666666666666667)+0.048092474272682*t26* in lg93_third_helper() 487 t48*t26*t49*t27+0.099896*t56*t26*t35*t27-4.8700598648E-10* in lg93_third_helper() 515 t7*t12*t28)*t26*t35*t36-0.032467065765333*t60*t26*t49*t27+ in lg93_third_helper() 613 t26 = 1/t5; in lg93_fourth_helper() 794 t58*t48*t26*t68*t36+0.144277422818047*t56*t34*t43*t26*t68* in lg93_fourth_helper() 802 t26*t49*t27+0.099896*t77*t26*t35*t27+9.61849485453648E-10* in lg93_fourth_helper() [all …]
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H A D | fun-lrc95x.c | 297 t34*t39-2.0*t20*t26*t34-2.0*t25*t26*t33-2.0*(-1.1254*t3*t5* in lrc95x_second_helper() 414 2.0*t20*t26*t34-2.0*t25*t26*t33; in lrc95x_third_helper() 452 t25*t27*t43*t53-4.0*t20*t26*t53-4.0*t25*t26*t52+4.0*t27*t34* in lrc95x_third_helper() 453 t43*t47-2.0*t26*t33*t47-2.0*t26*t27*(2.625933333333333*t3* in lrc95x_third_helper() 462 2.0*t20*t26*t58+4.0*t20*t43*t57-2.0*t25*t26*t56+8.0*t27*t34* in lrc95x_third_helper() 463 t43*t53-4.0*t26*t33*t53-4.0*t26*t34*t52+8.0*t25*t33*t34*t43- in lrc95x_third_helper() 597 2.0*t20*t26*t34-2.0*t25*t26*t33; in lrc95x_fourth_helper() 698 t20*t26*t77-6.0*t25*t26*t76+4.0*t27*t34*t43*t72-2.0*t26*t33* in lrc95x_fourth_helper() 713 t26*t80+8.0*t27*t34*t43*t77-4.0*t26*t33*t77-4.0*t26*t34*t76- in lrc95x_fourth_helper() 728 t86-2.0*t20*t26*t86-12.0*t20*t68*t85-2.0*t25*t26*t84+12.0* in lrc95x_fourth_helper() [all …]
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H A D | fun-pbec.c | 187 t26 = 1/pow(t1,4.0); in pbec_energy() 274 t26 = 1/(2.0*t17-2.0); in pbec_first() 296 t45 = t26*t28*t29*t35*t44; in pbec_first() 359 t94 = t26*t28*t29*t86*t44; in pbec_first() 513 t26 = 1/(2.0*t17-2.0); in pbec_second() 535 t45 = t26*t28*t29*t35*t44; in pbec_second() 694 t106*t26*t28*t29*t35; in pbec_second() 740 t26*t101*t31*t95*t38; in pbec_second() 931 t26*t30*t31*t95*t38+.0395035794051304*t26*t101*t31*t35*t38+ in pbec_second() 1048 t100*t26*t29*t35*t44+2.0*t132*t26*t28*t29*t44+.0395035794051304* in pbec_second() [all …]
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H A D | fun-pw92ac.c | 183 t26 = 1/ in pw92ac_first() 297 0.458*t3*t7*t26+t28+0.152666666666667*t2*t3*t24*t25*t26-0.458* in pw92ac_second() 310 0.458*t3*t7*t26+t28+0.152666666666667*t2*t3*t47*t25*t26-0.458* in pw92ac_second() 376 t7*t26+0.152666666666667*t2*t3*t68*t25*t26+0.305333333333333* in pw92ac_second() 377 t3*t24*t25*t26-0.712444444444445*t2*t27*t24*t25*t26-0.916* in pw92ac_second() 637 t3*t24*t25*t26-0.356222222222222*t2*t27*t24*t25*t26+0.458* in pw92ac_third() 819 t26+1.424888888888889*t2*t27*t67*t68*t26-0.610666666666667* in pw92ac_third() 855 t2*t3*t70*t47*t68*t26-0.407111111111111*t3*t24*t47*t68*t26- in pw92ac_third() 1021 t2*t3*t205*t25*t26-0.458*t3*t118*t25*t26-1.068666666666667* in pw92ac_third() 1350 t3*t24*t25*t26-0.356222222222222*t2*t27*t24*t25*t26+0.458* in pw92ac_fourth() [all …]
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H A D | fun-mpwx.c | 215 real t19, t20, t21, t22, t23, t24, t25, t26; in mpwx_second_helper() local 247 t26 = 1/pow(t25,3.626666666666667); in mpwx_second_helper() 249 t26-0.01136*t9*t16-4.388*t11*t22*t23*t12; in mpwx_second_helper() 262 t38 = -3.639457589892744E-6*t1*t24*t18*t26+t19+t17; in mpwx_second_helper() 292 t2*t26+0.05112*t15*t10-0.02556*t9*t37*t29); in mpwx_second_helper() 328 real t19, t20, t21, t22, t23, t24, t25, t26; in mpwx_third_helper() local 363 t26 = 1/pow(t25,3.626666666666667); in mpwx_third_helper() 365 t26-0.01136*t9*t16-4.388*t11*t22*t23*t12; in mpwx_third_helper() 521 real t19, t20, t21, t22, t23, t24, t25, t26; in mpwx_fourth_helper() local 559 t26 = 1/pow(t25,3.626666666666667); in mpwx_fourth_helper() [all …]
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/dports/science/chrono/chrono-7.0.1/src/chrono/fea/ |
H A D | ChLinkPointTriface.cpp | 290 Jxb1(0, 0) = -s1 + (d * t17 * t26 * t35) / 2; in ConstraintsLoadJacobians() 294 Jxb1(1, 1) = -s1 + (d * t11 * t26 * t37) / 2; in ConstraintsLoadJacobians() 297 Jxb1(2, 1) = -(d * t7 * t26 * t37) / 2 + t58; in ConstraintsLoadJacobians() 298 Jxb1(2, 2) = -s1 - (d * t7 * t26 * t40) / 2; in ConstraintsLoadJacobians() 300 Jxb2(0, 0) = -s2 - (d * t17 * t26 * t43) / 2; in ConstraintsLoadJacobians() 303 …Jxb2(1, 0) = -d * t8 * t28 + (d * t11 * t26 * t43) / 2, Jxb2(1, 1) = -s2 - (d * t11 * t26 * t45) /… in ConstraintsLoadJacobians() 305 Jxb2(2, 0) = -(d * t7 * t26 * t43) / 2 + t60; in ConstraintsLoadJacobians() 307 Jxb2(2, 2) = -s2 + (d * t7 * t26 * t48) / 2; in ConstraintsLoadJacobians() 309 Jxb3(0, 0) = -s3 + (d * t17 * t26 * t52) / 2; in ConstraintsLoadJacobians() 317 Jxb3(2, 2) = -s3 - (d * t7 * t26 * t57) / 2; in ConstraintsLoadJacobians() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
H A D | nwxcm_x_sogga.F | 146 2 a*t25*t26*t7*t8-1.962820760578067d-2*gammaaa*t2*t25*t26*t 150 6 *t26-3.925641521156134d-2*gammaaa*t15*t19*t20*t26-2.94423 285 2 *t25*t26*t7*t8-1.962820760578067d-2*gammaaa*t2*t25*t26*t6 289 6 t26-3.925641521156134d-2*gammaaa*t15*t19*t20*t26-2.944231 331 2 *t25*t26*t7*t8-1.962820760578067d-2*gammabb*t2*t25*t26*t6 335 6 t26-3.925641521156134d-2*gammabb*t15*t19*t20*t26-2.944231 491 2 ammaaa*t2*t26*t27*t6-9.814103802890335d-3*gammaaa*t13*t26 564 7 2*t26*t3*t6+3.6802889260838756d-3*t13*t26*t3+1.8401444630 573 1 2d-1*t1*(t26*t3*(2.708905315891122d-4*t12*t26*t3*t9+8.126 574 2 715947673364d-5*t26*t3*t6*t8+1.625343189534673d-4*t10*t26 [all …]
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H A D | nwxcm_x_camrpbe.F | 176 t26 = 1/t10**3 246 t27 = 1.0d+0-t26 361 t26 = 1/t10**3 423 t26 = 1/t10**3 814 t27 = 1.0d+0-t26 1714 + *t16*t26*t29*t32 2108 t27 = 1.0d+0-t26 2418 + *t159*t160*t26-3.386130477833154d-2*gammabb*t127*t26 2444 + *t100*t172*t26-2.550431938149111d-4*gammabb*t101*t26 2754 + *t20*t26*t76+1.895706072196977d-2*t104*t20*t26*t58*t75 [all …]
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H A D | nwxcm_x_m06_2x.F | 258 t26 = t9**6 438 8 120575993d+1*t26*t27*t28*t42+9.115599744691193d+1*t24*t26 519 8 120575993d+1*t26*t27*t28*t42+9.115599744691193d+1*t24*t26 778 3 *t29*t31-1.0d+1*t26*t27*t28-1.2d+1*t24*t26*t28-1.2d+1*t23 1025 t100 = -1.2d+1*t25*t26-1.4d+1*t22*t26 1058 4 *t26-1.4d+1*t22*t24*t26-1.4d+1*t21*t22*t23-1.6d+1*t19*t21 1103 1 +3*t21*t25*t26*t5-2.2620076536473846d+4*t21*t22*t26*t5+1. 1249 9 21*(1.96d+2*t22*t26+2.24d+2*t19*t26-1.4d+1*t100))*wght 1867 t59 = -1.2d+1*t25*t26-1.4d+1*t22*t26 3110 t59 = -1.2d+1*t25*t26-1.4d+1*t22*t26 [all …]
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H A D | nwxcm_x_vs98.F | 203 t28 = t24*t25*t26*t8+t7+t13*t26*t27+gammabb*t12*t19*t21*t26+ 230 5 t35-t16*t21*t26*t34-gammabb*t15*t19*t26*t34-2.66666666666 243 3 5*t26-1.86726d-3*t16*t19*t21*t26+t12*t19*t21*t26+t15*t19* 252 2 b*t15*t26*t38+2.0d+0*gammabb*t12*t26*t38-7.46904d-3*t13*t 254 4 t26+2.0d+0*t16*t20*t23)-3.73452d-3*t26*t28/t36)*wght+Mmat 652 t28 = t24*t25*t26*t8+t7+t13*t26*t27+gammabb*t12*t19*t21*t26+ 675 4 *t37*t38-t16*t21*t26*t37-gammabb*t15*t19*t26*t37-2.666666 689 2 .86726d-3*gammabb*t15*t25*t26-1.86726d-3*t16*t19*t21*t26+ 704 3 1*t26+4.0d+0*t13*t20*t21*t26+2.0d+0*t16*t20*t23 1723 t28 = t24*t25*t26*t8+t7+t13*t26*t27+gammabb*t12*t19*t21*t26+ [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
H A D | nwxcm_x_sogga.F | 146 2 a*t25*t26*t7*t8-1.962820760578067d-2*gammaaa*t2*t25*t26*t 150 6 *t26-3.925641521156134d-2*gammaaa*t15*t19*t20*t26-2.94423 285 2 *t25*t26*t7*t8-1.962820760578067d-2*gammaaa*t2*t25*t26*t6 289 6 t26-3.925641521156134d-2*gammaaa*t15*t19*t20*t26-2.944231 331 2 *t25*t26*t7*t8-1.962820760578067d-2*gammabb*t2*t25*t26*t6 335 6 t26-3.925641521156134d-2*gammabb*t15*t19*t20*t26-2.944231 491 2 ammaaa*t2*t26*t27*t6-9.814103802890335d-3*gammaaa*t13*t26 564 7 2*t26*t3*t6+3.6802889260838756d-3*t13*t26*t3+1.8401444630 573 1 2d-1*t1*(t26*t3*(2.708905315891122d-4*t12*t26*t3*t9+8.126 574 2 715947673364d-5*t26*t3*t6*t8+1.625343189534673d-4*t10*t26 [all …]
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H A D | nwxcm_x_camrpbe.F | 176 t26 = 1/t10**3 246 t27 = 1.0d+0-t26 361 t26 = 1/t10**3 423 t26 = 1/t10**3 814 t27 = 1.0d+0-t26 1714 + *t16*t26*t29*t32 2108 t27 = 1.0d+0-t26 2418 + *t159*t160*t26-3.386130477833154d-2*gammabb*t127*t26 2444 + *t100*t172*t26-2.550431938149111d-4*gammabb*t101*t26 2754 + *t20*t26*t76+1.895706072196977d-2*t104*t20*t26*t58*t75 [all …]
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H A D | nwxcm_x_m06_2x.F | 258 t26 = t9**6 438 8 120575993d+1*t26*t27*t28*t42+9.115599744691193d+1*t24*t26 519 8 120575993d+1*t26*t27*t28*t42+9.115599744691193d+1*t24*t26 778 3 *t29*t31-1.0d+1*t26*t27*t28-1.2d+1*t24*t26*t28-1.2d+1*t23 1025 t100 = -1.2d+1*t25*t26-1.4d+1*t22*t26 1058 4 *t26-1.4d+1*t22*t24*t26-1.4d+1*t21*t22*t23-1.6d+1*t19*t21 1103 1 +3*t21*t25*t26*t5-2.2620076536473846d+4*t21*t22*t26*t5+1. 1249 9 21*(1.96d+2*t22*t26+2.24d+2*t19*t26-1.4d+1*t100))*wght 1867 t59 = -1.2d+1*t25*t26-1.4d+1*t22*t26 3110 t59 = -1.2d+1*t25*t26-1.4d+1*t22*t26 [all …]
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/dports/science/ergo/ergo-3.8/source/dft/ |
H A D | fun-pbec.c | 180 t26 = 1/POW(t1,4.0); in pbec_energy() 267 t26 = 1/(2.0*t17-2.0); in pbec_first() 289 t45 = t26*t28*t29*t35*t44; in pbec_first() 352 t94 = t26*t28*t29*t86*t44; in pbec_first() 506 t26 = 1/(2.0*t17-2.0); in pbec_second() 528 t45 = t26*t28*t29*t35*t44; in pbec_second() 687 t106*t26*t28*t29*t35; in pbec_second() 733 t26*t101*t31*t95*t38; in pbec_second() 924 t26*t30*t31*t95*t38+.0395035794051304*t26*t101*t31*t35*t38+ in pbec_second() 1041 t100*t26*t29*t35*t44+2.0*t132*t26*t28*t29*t44+.0395035794051304* in pbec_second() [all …]
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