/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
H A D | i0202AB.cc | 32 double t29; in i0202eAB() local 184 t29=t19*t20; in i0202eAB() 185 t30=t29+t28; in i0202eAB() 188 t29=t28+t26; in i0202eAB() 196 t33=t30+t29; in i0202eAB() 205 t37=t29*t7; in i0202eAB() 299 t29=t4*t21; in i0202eAB() 315 t65=t29*t3; in i0202eAB() 338 t6=t29*t5; in i0202eAB() 339 t12=t29*t6; in i0202eAB() [all …]
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H A D | i1222AB.cc | 32 double t29; in i1222eAB() local 151 t29=t19*t20; in i1222eAB() 152 t30=t29+t28; in i1222eAB() 154 t29=t28+t26; in i1222eAB() 162 t33=t30+t29; in i1222eAB() 171 t37=t29*t7; in i1222eAB() 259 t29=t4*t21; in i1222eAB() 266 t8=t29*t31; in i1222eAB() 269 t8=t29*t41; in i1222eAB() 275 t17=t29*t3; in i1222eAB() [all …]
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H A D | i1212AB.cc | 32 double t29; in i1212eAB() local 170 t29=t19*t20; in i1212eAB() 171 t30=t29+t28; in i1212eAB() 173 t29=t28+t26; in i1212eAB() 181 t33=t30+t29; in i1212eAB() 190 t37=t29*t7; in i1212eAB() 278 t29=t4*t21; in i1212eAB() 294 t65=t29*t3; in i1212eAB() 317 t6=t29*t5; in i1212eAB() 318 t12=t29*t6; in i1212eAB() [all …]
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H A D | i0212AB.cc | 32 double t29; in i0212eAB() local 176 t29=t19*t20; in i0212eAB() 177 t30=t29+t28; in i0212eAB() 180 t29=t28+t26; in i0212eAB() 188 t33=t30+t29; in i0212eAB() 197 t37=t29*t7; in i0212eAB() 291 t29=t4*t21; in i0212eAB() 307 t65=t29*t3; in i0212eAB() 330 t6=t29*t5; in i0212eAB() 331 t12=t29*t6; in i0212eAB() [all …]
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H A D | i0222AB.cc | 32 double t29; in i0222eAB() local 154 t29=t19*t20; in i0222eAB() 155 t30=t29+t28; in i0222eAB() 158 t29=t28+t26; in i0222eAB() 166 t33=t30+t29; in i0222eAB() 175 t37=t29*t7; in i0222eAB() 267 t29=t4*t21; in i0222eAB() 274 t8=t29*t31; in i0222eAB() 277 t8=t29*t41; in i0222eAB() 283 t17=t29*t3; in i0222eAB() [all …]
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H A D | i0301.cc | 32 double t29; in i0301() local 155 t30=t29+t28; in i0301() 157 t29=t28+t25; in i0301() 159 t31=t28+t29; in i0301() 161 t29=t28+t27; in i0301() 163 t28=t27+t29; in i0301() 165 t29=t27+t24; in i0301() 193 t32=t12+t29; in i0301() 202 t38=t37+t29; in i0301() 203 t29=t2*t38; in i0301() [all …]
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H A D | i1301.cc | 32 double t29; in i1301() local 152 t30=t29+t28; in i1301() 154 t29=t28+t25; in i1301() 156 t31=t28+t29; in i1301() 158 t29=t28+t27; in i1301() 160 t28=t27+t29; in i1301() 162 t29=t27+t24; in i1301() 190 t32=t12+t29; in i1301() 199 t38=t37+t29; in i1301() 200 t29=t2*t38; in i1301() [all …]
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H A D | i1211AB.cc | 32 double t29; in i1211eAB() local 117 t30=t12*t29; in i1211eAB() 119 t12=t29*t2; in i1211eAB() 121 t2=t29*t18; in i1211eAB() 142 t10=t29*t6; in i1211eAB() 145 t15=t29*t14; in i1211eAB() 151 t14=t29*t21; in i1211eAB() 158 t2=t29*t15; in i1211eAB() 163 t2=t29*t21; in i1211eAB() 184 t24=t29*t8; in i1211eAB() [all …]
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H A D | i0211AB.cc | 32 double t29; in i0211eAB() local 122 t30=t12*t29; in i0211eAB() 124 t12=t29*t2; in i0211eAB() 126 t2=t29*t18; in i0211eAB() 147 t10=t29*t6; in i0211eAB() 150 t15=t29*t14; in i0211eAB() 156 t14=t29*t21; in i0211eAB() 163 t2=t29*t15; in i0211eAB() 168 t2=t29*t21; in i0211eAB() 189 t24=t29*t8; in i0211eAB() [all …]
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H A D | i3301.cc | 32 double t29; in i3301() local 145 t30=t29+t28; in i3301() 147 t29=t28+t25; in i3301() 183 t29=t2*t38; in i3301() 198 t29=t1*t38; in i3301() 204 t29=t2*t45; in i3301() 207 t29=t2*t46; in i3301() 209 t29=t5*t39; in i3301() 211 t29=t2*t47; in i3301() 213 t29=t12*t8; in i3301() [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | fun-pw92ac.c | 296 t42 = t41+t29*t24*t30*t39+t29*t38*t6*t39+t29*t6*t30*t36- in pw92ac_second() 309 t50 = t41+t29*t47*t30*t39+t29*t49*t6*t39+t29*t6*t30*t48+ in pw92ac_second() 559 t42 = t41+t29*t24*t30*t39+t29*t38*t6*t39+t29*t6*t30*t36- in pw92ac_third() 572 t50 = t41+t29*t47*t30*t39+t29*t49*t6*t39+t29*t6*t30*t48+ in pw92ac_third() 633 t6*t39+t29*t24*t49*t39+t29*t38*t47*t39+t29*t84*t30*t39+t29* in pw92ac_third() 986 t29*t38*t6*t131+t29*t24*t30*t131+t29*t49*t6*t112+t29*t47*t30* in pw92ac_third() 1272 t42 = t41+t29*t24*t30*t39+t29*t38*t6*t39+t29*t6*t30*t36- in pw92ac_fourth() 1285 t50 = t41+t29*t47*t30*t39+t29*t49*t6*t39+t29*t6*t30*t48+ in pw92ac_fourth() 1346 t6*t39+t29*t24*t49*t39+t29*t38*t47*t39+t29*t84*t30*t39+t29* in pw92ac_fourth() 1506 t187 = 2.0*t29*t36*t6*t87+2.0*t24*t29*t39*t87+2.0*t29* in pw92ac_fourth() [all …]
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H A D | fun-pw91x2.c | 297 t19*t15)-2.0*t23*pow(t29,2.0)*t33+2.0*t22*t28*t29); in pw91x2_second_helper() 404 t50 = pow(t29,2.0); in pw91x2_third_helper() 446 t22*t49-4.0*t23*t29*t37*t46+2.0*t22*t28*t46+2.0*t22*t29*t45+ in pw91x2_third_helper() 577 t50 = pow(t29,2.0); in pw91x2_fourth_helper() 613 4.0*t17*t21*t29*t37+t29*t22*t35+t40*t22*t28+t69*t22*t23; in pw91x2_fourth_helper() 623 t28*t46+2.0*t22*t29*t45-4.0*t21*t28*t29*t37+t73*t22*t23+t51* in pw91x2_fourth_helper() 676 18.0*t23*t36*t46*t60+18.0*t21*t23*t29*t40*t60+18.0*t17*t29* in pw91x2_fourth_helper() 691 t50*t60+24.0*t21*t23*t29*t46*t60+12.0*t28*t29*t36*t60-2.0* in pw91x2_fourth_helper() 694 8.0*t17*t29*t37*t46-8.0*t21*t28*t37*t46-8.0*t21*t29*t37*t45- in pw91x2_fourth_helper() 703 6.0*t23*t29*t37*t73+3.0*t22*t28*t73+3.0*t22*t29*t72+18.0*t21* in pw91x2_fourth_helper() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
H A D | nwxcm_c_vwn1_rpa.F | 193 t29 = 1/t28 195 1 +0*t26*t29)+1.554535d-2*log(6.203504908994001d-1*t17*t29) 221 1 .0d+0*t26*t29*t48*t49-2.625411059665811d-1*t25*t29*t32*t3 223 3 -1*t17*t29*t48*t49-2.067834969664667d-1*t29*t43*t44)+1.90 598 1 +0*t26*t29)+1.554535d-2*log(6.203504908994001d-1*t17*t29) 627 t54 = -1.0d+0*t26*t29*t52*t53-2.625411059665811d-1*t25*t29*t 690 1 1*(2.0d+0*t100*t26*t29*t99+1.7502740397772074d-1*t25*t29* 692 3 107778d-2*t29*t73+5.250822119331622d-1*t25*t29*t32*t33*t5 695 6 62224d-1*t29*t44*t94+4.135669939329334d-1*t29*t44*t45*t52 1299 1 +0*t26*t29)+1.554535d-2*log(6.203504908994001d-1*t17*t29) [all …]
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H A D | nwxcm_c_lyp.F | 129 t29 = 1/rhoa 531 t30 = -1.1633333333333332d-1*t29*t5-8.443333333333334d-2*t29 1236 t30 = -1.1633333333333332d-1*t29*t5-8.443333333333334d-2*t29 1506 2 abb*t11*t29*t56+4.0195535306666674d-3*gammaaa*t11*t29*t54 1514 2 bb*t11*t29*t56-9.255935539253335d-5*gammaaa*t11*t29*t54-9 1653 8 *t29*t56+2.0097767653333337d-3*gammaaa*t11*t29*t54+2.0097 1677 @ *t11*t29*t54-6.376473555466666d-5*gammaab*t11*t29*t52-6.3 1688 ; 3d-2*t11*t29*t8-5.481209360000001d-4*gammabb*t11*t29*t77- 1698 5 *t11*t125*t29-5.481209360000001d-4*gammaab*t11*t121*t29+t 1708 2 757887d-1*t11*t29*t8-1.0659095603757889d-1*t11*t29*t7-6.4 [all …]
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H A D | nwxcm_c_pbeop.F | 1597 1 72336067107812d-1*t10*t11*t29*t95*wght-2*t29*t96+t225+t22 1995 4 9*t20*t23*t29*t43*t8+8.666103204112231d-2*t1*t11*t24*t29* 2100 3 *t19*t23*t29*t38*t43*t8+8.666103204112231d-2*t1*t11*t29*t 2167 ? *t29*t30*t53*t54*t55-1.9264558001493193d-2*gammabb*t1*t29 2237 6 52*t29*t4*t43*t5*t51*t8-3.612104625279974d-3*t1*t23*t29*t 2340 5 23*t29*t4*t42*t89-8.705554958342553d-7*gammaaa*t1*t29*t43 2891 < t19*t29*t42*t56-4.392912541831627d-6*t1*t11*t29*t42*t53*t 3140 5 t29*t4*t43*t5*t79*t8+4.72299650964551d-2*t1*t116*t29*t32* 3273 = t23*t29*t42*t87*t88+2.168357784827018d-3*t1*t19*t24*t29*t 3299 7 t23*t29*t43*t8+2.558993630650758d-4*t1*t19*t22*t29*t37*t4 [all …]
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H A D | nwxcm_c_vwn1.F | 195 t29 = 1/t28 223 1 1.0d+0*t26*t29*t48*t49-2.625411059665811d-1*t25*t29*t32*t 225 3 d-1*t17*t29*t48*t49-2.067834969664667d-1*t29*t43*t44)+6.5 632 t54 = -1.0d+0*t26*t29*t52*t53-2.625411059665811d-1*t25*t29*t 695 1 51*(2.0d+0*t100*t26*t29*t99+1.7502740397772074d-1*t25*t29 697 3 6107778d-2*t29*t73+5.250822119331622d-1*t25*t29*t32*t33*t 700 6 862224d-1*t29*t44*t94+4.135669939329334d-1*t29*t44*t45*t5 1335 t54 = -1.0d+0*t26*t29*t52*t53-2.625411059665811d-1*t25*t29*t 1401 1 054d-1*t25*t29*t79*t80+3.446391616107778d-2*t29*t73+5.250 1406 1 1*t29*t44*t45*t52*t53-6.203504908994001d-1*t104*t17*t29*t [all …]
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H A D | nwxcm_c_vwn5.F | 221 t30 = 1/t29 281 7 22148880047894d-2*t29*t55*t67+6.991732350764465d-6*t29*t6 372 2 03504908994001d-1*t29*t53*t54*t9-2.067834969664667d-1*t29 376 6 t29*t31*t53*t54-2.625411059665811d-1*t29*t30*t36*t37)/t31 455 2 03504908994001d-1*t29*t53*t54*t9-2.067834969664667d-1*t29 459 6 t29*t31*t53*t54-2.625411059665811d-1*t29*t30*t36*t37)/t31 1027 t62 = -1.0d+0*t29*t31*t55*t56-2.625411059665811d-1*t29*t30*t 1087 3 0*t29*t89*t9*t90+2.7571132928862224d-1*t29*t34*t75+4.1356 1089 5 *t28*t61*(-1.0d+0*t29*t31*t56*t91+2.0d+0*t29*t31*t89*t90+ 1091 7 -1*t29*t30*t36*t68+3.446391616107778d-2*t29*t66+5.2508221 [all …]
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H A D | nwxcm_c_vwn4.F | 221 t30 = 1/t29 281 7 22148880047894d-2*t29*t55*t67+3.6490335179177674d-4*t29*t 372 2 03504908994001d-1*t29*t53*t54*t9-2.067834969664667d-1*t29 376 6 t29*t31*t53*t54-2.625411059665811d-1*t29*t30*t36*t37)/t31 455 2 03504908994001d-1*t29*t53*t54*t9-2.067834969664667d-1*t29 459 6 t29*t31*t53*t54-2.625411059665811d-1*t29*t30*t36*t37)/t31 1027 t62 = -1.0d+0*t29*t31*t55*t56-2.625411059665811d-1*t29*t30*t 1087 3 0*t29*t89*t9*t90+2.7571132928862224d-1*t29*t34*t75+4.1356 1089 5 *t28*t61*(-1.0d+0*t29*t31*t56*t91+2.0d+0*t29*t31*t89*t90+ 1091 7 -1*t29*t30*t36*t68+3.446391616107778d-2*t29*t66+5.2508221 [all …]
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H A D | nwxcm_x_cams12.F | 186 t29 = 1/t19 270 t29 = 1/t17 825 > t22*t27*t29*t40)-1.7730768017841417d-1*t15*t16*t17*t29*t3 853 ? 7*t29*t30*t76-1.7730768017841417d-1*t15*t16*t17*t29*t40*t 1148 = t115*t29*t63+2.8199568089598814d+0*rhoa*t105*t106*t29)-6. 1175 = t130*t29*t81+2.8199568089598814d+0*rhob*t121*t122*t29)-6. 1423 > 22*t27*t29*t40)-1.7730768017841417d-1*t15*t16*t17*t29*t30 1450 ? *t29*t30*t76-1.7730768017841417d-1*t15*t16*t17*t29*t40*t5 1617 > 22*t27*t29*t40)-1.7730768017841417d-1*t15*t16*t17*t29*t30 2522 2 *t29 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
H A D | nwxcm_c_vwn1_rpa.F | 193 t29 = 1/t28 195 1 +0*t26*t29)+1.554535d-2*log(6.203504908994001d-1*t17*t29) 221 1 .0d+0*t26*t29*t48*t49-2.625411059665811d-1*t25*t29*t32*t3 223 3 -1*t17*t29*t48*t49-2.067834969664667d-1*t29*t43*t44)+1.90 598 1 +0*t26*t29)+1.554535d-2*log(6.203504908994001d-1*t17*t29) 627 t54 = -1.0d+0*t26*t29*t52*t53-2.625411059665811d-1*t25*t29*t 690 1 1*(2.0d+0*t100*t26*t29*t99+1.7502740397772074d-1*t25*t29* 692 3 107778d-2*t29*t73+5.250822119331622d-1*t25*t29*t32*t33*t5 695 6 62224d-1*t29*t44*t94+4.135669939329334d-1*t29*t44*t45*t52 1299 1 +0*t26*t29)+1.554535d-2*log(6.203504908994001d-1*t17*t29) [all …]
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H A D | nwxcm_c_lyp.F | 129 t29 = 1/rhoa 531 t30 = -1.1633333333333332d-1*t29*t5-8.443333333333334d-2*t29 1236 t30 = -1.1633333333333332d-1*t29*t5-8.443333333333334d-2*t29 1506 2 abb*t11*t29*t56+4.0195535306666674d-3*gammaaa*t11*t29*t54 1514 2 bb*t11*t29*t56-9.255935539253335d-5*gammaaa*t11*t29*t54-9 1653 8 *t29*t56+2.0097767653333337d-3*gammaaa*t11*t29*t54+2.0097 1677 @ *t11*t29*t54-6.376473555466666d-5*gammaab*t11*t29*t52-6.3 1688 ; 3d-2*t11*t29*t8-5.481209360000001d-4*gammabb*t11*t29*t77- 1698 5 *t11*t125*t29-5.481209360000001d-4*gammaab*t11*t121*t29+t 1708 2 757887d-1*t11*t29*t8-1.0659095603757889d-1*t11*t29*t7-6.4 [all …]
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H A D | nwxcm_c_pbeop.F | 1597 1 72336067107812d-1*t10*t11*t29*t95*wght-2*t29*t96+t225+t22 1995 4 9*t20*t23*t29*t43*t8+8.666103204112231d-2*t1*t11*t24*t29* 2100 3 *t19*t23*t29*t38*t43*t8+8.666103204112231d-2*t1*t11*t29*t 2167 ? *t29*t30*t53*t54*t55-1.9264558001493193d-2*gammabb*t1*t29 2237 6 52*t29*t4*t43*t5*t51*t8-3.612104625279974d-3*t1*t23*t29*t 2340 5 23*t29*t4*t42*t89-8.705554958342553d-7*gammaaa*t1*t29*t43 2891 < t19*t29*t42*t56-4.392912541831627d-6*t1*t11*t29*t42*t53*t 3140 5 t29*t4*t43*t5*t79*t8+4.72299650964551d-2*t1*t116*t29*t32* 3273 = t23*t29*t42*t87*t88+2.168357784827018d-3*t1*t19*t24*t29*t 3299 7 t23*t29*t43*t8+2.558993630650758d-4*t1*t19*t22*t29*t37*t4 [all …]
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H A D | nwxcm_c_vwn1.F | 195 t29 = 1/t28 223 1 1.0d+0*t26*t29*t48*t49-2.625411059665811d-1*t25*t29*t32*t 225 3 d-1*t17*t29*t48*t49-2.067834969664667d-1*t29*t43*t44)+6.5 632 t54 = -1.0d+0*t26*t29*t52*t53-2.625411059665811d-1*t25*t29*t 695 1 51*(2.0d+0*t100*t26*t29*t99+1.7502740397772074d-1*t25*t29 697 3 6107778d-2*t29*t73+5.250822119331622d-1*t25*t29*t32*t33*t 700 6 862224d-1*t29*t44*t94+4.135669939329334d-1*t29*t44*t45*t5 1335 t54 = -1.0d+0*t26*t29*t52*t53-2.625411059665811d-1*t25*t29*t 1401 1 054d-1*t25*t29*t79*t80+3.446391616107778d-2*t29*t73+5.250 1406 1 1*t29*t44*t45*t52*t53-6.203504908994001d-1*t104*t17*t29*t [all …]
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H A D | nwxcm_c_vwn5.F | 221 t30 = 1/t29 281 7 22148880047894d-2*t29*t55*t67+6.991732350764465d-6*t29*t6 372 2 03504908994001d-1*t29*t53*t54*t9-2.067834969664667d-1*t29 376 6 t29*t31*t53*t54-2.625411059665811d-1*t29*t30*t36*t37)/t31 455 2 03504908994001d-1*t29*t53*t54*t9-2.067834969664667d-1*t29 459 6 t29*t31*t53*t54-2.625411059665811d-1*t29*t30*t36*t37)/t31 1027 t62 = -1.0d+0*t29*t31*t55*t56-2.625411059665811d-1*t29*t30*t 1087 3 0*t29*t89*t9*t90+2.7571132928862224d-1*t29*t34*t75+4.1356 1089 5 *t28*t61*(-1.0d+0*t29*t31*t56*t91+2.0d+0*t29*t31*t89*t90+ 1091 7 -1*t29*t30*t36*t68+3.446391616107778d-2*t29*t66+5.2508221 [all …]
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H A D | nwxcm_c_vwn4.F | 221 t30 = 1/t29 281 7 22148880047894d-2*t29*t55*t67+3.6490335179177674d-4*t29*t 372 2 03504908994001d-1*t29*t53*t54*t9-2.067834969664667d-1*t29 376 6 t29*t31*t53*t54-2.625411059665811d-1*t29*t30*t36*t37)/t31 455 2 03504908994001d-1*t29*t53*t54*t9-2.067834969664667d-1*t29 459 6 t29*t31*t53*t54-2.625411059665811d-1*t29*t30*t36*t37)/t31 1027 t62 = -1.0d+0*t29*t31*t55*t56-2.625411059665811d-1*t29*t30*t 1087 3 0*t29*t89*t9*t90+2.7571132928862224d-1*t29*t34*t75+4.1356 1089 5 *t28*t61*(-1.0d+0*t29*t31*t56*t91+2.0d+0*t29*t31*t89*t90+ 1091 7 -1*t29*t30*t36*t68+3.446391616107778d-2*t29*t66+5.2508221 [all …]
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