/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | fun-pw91nc.c | 362 t35 = 1/t12; in pw91nc_second() 460 t14*t35*t50*t62*(0.055130032171328*t22*t32*t35*t36*t97*t98/ in pw91nc_second() 463 t35*t22*t32*t36*t97*t63*t47-0.018376677390443*t35*t22*t32* in pw91nc_second() 483 t35*t14*t50*t70*t93*t64-2.656434474616293*t35*t14*t71*t62* in pw91nc_second() 496 t35*t14*t50*t76*t93*t64-2.656434474616293*t35*t14*t77*t62* in pw91nc_second() 508 t35*t14*t87*t62*t64-2.656434474616293*t35*t14*t84*t62*t61+ in pw91nc_second() 537 t14*t35*t50*pow(t70,2.0)*t93+2.656434474616293*t14*t35*t53* in pw91nc_second() 555 t35*t14*t71*t84*t62+5.312868949232586*t35*t14*t50*t84*t70* in pw91nc_second() 569 t35*t14*t77*t84*t62+5.312868949232586*t35*t14*t50*t84*t76* in pw91nc_second() 689 t35 = 1/t12; in pw91nc_third() [all …]
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H A D | fun-lg93.c | 324 t7*t38*t28)*t26*t35*t36+0.033298666666667*t43*t26*t35*t27+ in lg93_second_helper() 503 t58*t6*t35*t25+3.32986666666667E-10*t1*t2*grada*t34*t6*t35* in lg93_third_helper() 507 t35*t59-1.109955555555555E-18*t10*t20*t42*t43*t44*t35*t57- in lg93_third_helper() 510 t6*t35*t37-1.2487E-10*t1*t2*t34*t6*t35*t37+0.048092474272682* in lg93_third_helper() 752 t1*t2*t43*t6*t35*t37-3.7461E-10*t1*t2*grada*t61*t6*t35*t37+ in lg93_fourth_helper() 761 t34*t26*t35*t66+2.51589925925926E-9*t1*t2*t3*t34*t6*t35*t65- in lg93_fourth_helper() 790 t35*t45+1.054457777777778E-17*t10*t20*t42*t34*t44*t35*t45- in lg93_fourth_helper() 817 t6*t35*t46-7.76968888888889E-10*t1*t2*grada*t43*t6*t35*t46- in lg93_fourth_helper() 825 t1*t2*grada*t77*t6*t35*t37-1.2487E-10*t1*t2*t56*t6*t35*t37- in lg93_fourth_helper() 840 t6*t35*t25+3.32986666666667E-10*t1*t2*t34*t6*t35*t25; in lg93_fourth_helper() [all …]
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H A D | fun-p86c.c | 207 t35 = t6*t13; in p86c_first() 305 t35 = sqrt(t4); in p86c_second() 370 t85 = 1/t35; in p86c_second() 578 t35 = sqrt(t4); in p86c_third() 644 t34*t35*t53*t33*t52+6.718719623277062E-4*t34*t35*t36*t69*t52- in p86c_third() 663 t35; in p86c_third() 1003 t1*t34*t35*t59*t115*t73*t39+6.718719623277062E-4*t1*t34*t35* in p86c_third() 1012 t1*t34*t35*t59*t72*t73*t39+6.718719623277062E-4*t1*t34*t35* in p86c_third() 1049 t35*t97*t48*t49*t39+3.359359811638531E-4*t1*t34*grada*t35* in p86c_third() 1065 t35*t97*t48*t49*t39+3.359359811638531E-4*t1*t34*gradb*t35* in p86c_third() [all …]
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H A D | fun-pw91x.c | 314 t35*t36*t8); in pw91x_second_helper() 486 t30*t35*t51*t8-3.0*t1*t2*t21*t35*t39*t47*t8+1.5*t1*t2*t30* in pw91x_third_helper() 502 t35*t36); in pw91x_third_helper() 507 3.0)*t65*t8+4.5*t1*t2*t30*t35*t64*t8-9.0*t1*t2*t21*t35*t39* in pw91x_third_helper() 743 t1*t2*t30*t35*t51*t8-3.0*t1*t2*t21*t35*t39*t47*t8+1.5*t1*t2* in pw91x_fourth_helper() 753 t35*t39*t55*t8+3.0*t1*t2*t30*t36*t55*t8-6.0*t1*t2*t29*t35* in pw91x_fourth_helper() 757 t67*t8*t96+4.5*t1*t2*t30*t35*t64*t8-9.0*t1*t2*t21*t35*t39* in pw91x_fourth_helper() 785 t35*t8*t81-3.0*t1*t2*t21*t35*t39*t77*t8+1.5*t1*t2*t30*t36* in pw91x_fourth_helper() 787 t8+27.0*t1*t2*t21*t29*t35*t47*t67*t8+27.0*t1*t2*t31*t35*t38* in pw91x_fourth_helper() 811 t59*t67*t8+36.0*t1*t2*t21*t29*t35*t55*t67*t8+18.0*t1*t2*t35* in pw91x_fourth_helper() [all …]
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
H A D | i2222.cc | 38 double t35; in i2222() local 185 t35=t3*t24; in i2222() 188 t35=t4*t37; in i2222() 190 t35=t6*t31; in i2222() 192 t35=t4*t38; in i2222() 195 t35=t4*t31; in i2222() 197 t35=t6*t34; in i2222() 199 t35=t6*t40; in i2222() 214 t42=t35*t7; in i2222() 303 t3=t35*t43; in i2222() [all …]
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H A D | i1222.cc | 38 double t35; in i1222() local 189 t35=t3*t24; in i1222() 192 t35=t4*t37; in i1222() 194 t35=t6*t31; in i1222() 196 t35=t4*t38; in i1222() 199 t35=t4*t31; in i1222() 201 t35=t6*t34; in i1222() 204 t35=t6*t40; in i1222() 219 t42=t35*t7; in i1222() 311 t3=t35*t43; in i1222() [all …]
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H A D | i0222.cc | 38 double t35; in i0222() local 193 t35=t3*t24; in i0222() 196 t35=t4*t37; in i0222() 198 t35=t6*t31; in i0222() 200 t35=t4*t38; in i0222() 203 t35=t4*t31; in i0222() 205 t35=t6*t34; in i0222() 208 t35=t6*t40; in i0222() 223 t42=t35*t7; in i0222() 318 t3=t35*t43; in i0222() [all …]
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H A D | i1222AB.cc | 38 double t35; in i1222eAB() local 168 t36=t35+t30; in i1222eAB() 170 t35=t1*t30; in i1222eAB() 175 t38=t37+t35; in i1222eAB() 276 t60=t35+t17; in i1222eAB() 290 t47=t35*t3; in i1222eAB() 341 t18=t35*t5; in i1222eAB() 346 t63=t35*t7; in i1222eAB() 385 t7=t35*t64; in i1222eAB() 451 t9=t35*t54; in i1222eAB() [all …]
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H A D | i0222AB.cc | 38 double t35; in i0222eAB() local 172 t36=t35+t30; in i0222eAB() 174 t35=t1*t30; in i0222eAB() 179 t38=t37+t35; in i0222eAB() 284 t60=t35+t17; in i0222eAB() 298 t47=t35*t3; in i0222eAB() 349 t18=t35*t5; in i0222eAB() 354 t63=t35*t7; in i0222eAB() 393 t7=t35*t64; in i0222eAB() 459 t9=t35*t54; in i0222eAB() [all …]
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H A D | i3322.cc | 38 double t35; in i3322() local 255 t35=t24+t34; in i3322() 273 t22=t5+t35; in i3322() 275 t35=t5+t22; in i3322() 276 t5=t1*t35; in i3322() 597 t64=t1*t35; in i3322() 821 t4=t35*t81; in i3322() 853 t4=t35*t20; in i3322() 859 t4=t35*t57; in i3322() 866 t4=t35*t87; in i3322() [all …]
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H A D | i1322.cc | 38 double t35; in i1322() local 259 t35=t24+t34; in i1322() 277 t22=t5+t35; in i1322() 279 t35=t5+t22; in i1322() 280 t5=t1*t35; in i1322() 615 t64=t1*t35; in i1322() 849 t4=t35*t81; in i1322() 883 t4=t35*t20; in i1322() 889 t4=t35*t57; in i1322() 896 t4=t35*t87; in i1322() [all …]
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H A D | i0322.cc | 38 double t35; in i0322() local 262 t35=t24+t34; in i0322() 280 t22=t5+t35; in i0322() 282 t35=t5+t22; in i0322() 283 t5=t1*t35; in i0322() 623 t64=t1*t35; in i0322() 857 t4=t35*t81; in i0322() 891 t4=t35*t20; in i0322() 897 t4=t35*t57; in i0322() 904 t4=t35*t87; in i0322() [all …]
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H A D | i2322.cc | 38 double t35; in i2322() local 255 t35=t24+t34; in i2322() 273 t22=t5+t35; in i2322() 275 t35=t5+t22; in i2322() 276 t5=t1*t35; in i2322() 606 t64=t1*t35; in i2322() 840 t4=t35*t81; in i2322() 874 t4=t35*t20; in i2322() 880 t4=t35*t57; in i2322() 887 t4=t35*t87; in i2322() [all …]
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H A D | i2311AB.cc | 38 double t35; in i2311eAB() local 147 t37=t36+t35; in i2311eAB() 148 t35=t2*t37; in i2311eAB() 149 t36=t2*t35; in i2311eAB() 208 t58=t46*t35; in i2311eAB() 225 t61=t55*t35; in i2311eAB() 226 t35=t46*t61; in i2311eAB() 227 t62=t35+t3; in i2311eAB() 229 t35=t55*t48; in i2311eAB() 258 t35=t6+t21; in i2311eAB() [all …]
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H A D | i1311AB.cc | 38 double t35; in i1311eAB() local 152 t37=t36+t35; in i1311eAB() 153 t35=t2*t37; in i1311eAB() 154 t36=t2*t35; in i1311eAB() 214 t58=t46*t35; in i1311eAB() 231 t61=t55*t35; in i1311eAB() 232 t35=t46*t61; in i1311eAB() 233 t62=t35+t3; in i1311eAB() 235 t35=t55*t48; in i1311eAB() 265 t35=t6+t21; in i1311eAB() [all …]
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H A D | i0311AB.cc | 38 double t35; in i0311eAB() local 152 t37=t36+t35; in i0311eAB() 153 t35=t2*t37; in i0311eAB() 154 t36=t2*t35; in i0311eAB() 214 t58=t46*t35; in i0311eAB() 231 t61=t55*t35; in i0311eAB() 232 t35=t46*t61; in i0311eAB() 233 t62=t35+t3; in i0311eAB() 235 t35=t55*t48; in i0311eAB() 265 t35=t6+t21; in i0311eAB() [all …]
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/dports/science/ergo/ergo-3.8/source/dft/ |
H A D | fun-p86c.c | 199 t35 = t6*t13; in p86c_first() 297 t35 = SQRT(t4); in p86c_second() 362 t85 = 1/t35; in p86c_second() 568 t35 = SQRT(t4); in p86c_third() 634 t34*t35*t53*t33*t52+6.718719623277062E-4*t34*t35*t36*t69*t52- in p86c_third() 653 t35; in p86c_third() 987 t1*t34*t35*t59*t115*t73*t39+6.718719623277062E-4*t1*t34*t35* in p86c_third() 996 t1*t34*t35*t59*t72*t73*t39+6.718719623277062E-4*t1*t34*t35* in p86c_third() 1033 t35*t97*t48*t49*t39+3.359359811638531E-4*t1*t34*grada*t35* in p86c_third() 1049 t35*t97*t48*t49*t39+3.359359811638531E-4*t1*t34*gradb*t35* in p86c_third() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
H A D | nwxcm_x_sogga.F | 235 6 2*t35*t38*t44-2.9442311408671007d-2*gammabb*t20*t35*t37*t 252 5 20*t35*t37+7.360577852167751d-3*t16*t35*t36+3.68028892608 656 6 mabb*t20*t35*t37*t47-1.962820760578067d-2*gammabb*t16*t35 693 2 155704335503d-2*t22*t35*t38+1.1040866778251626d-2*t20*t35 729 8 abb*t24*t35*t39*t62+1.4394018910905823d-1*gammabb*t22*t35 740 3 2*t35*t38*t58*t60-2.8894990036171964d-4*t20*t35*t37*t58*t 791 = *t35*t37*t65+7.22374750904299d-5*gammabb*t16*t35*t36*t65+ 797 3 *t35*t38*t47-2.9442311408671007d-2*t20*t35*t37*t47-1.9628 804 : 8*t35*t38+1.1040866778251626d-2*t20*t28*t35*t37+7.3605778 828 6 1214d-5*t16*t28*t35*t36-1.3544526579455607d-5*t25*t28*t35 [all …]
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H A D | nwxcm_x_camb88.F | 189 2 13*t15*t18*t35+t18*t35-3.536776513153214d-2*t13*t15*t19*t 256 t42 = 1/t35 375 2 3*t15*t18*t35+t18*t35-3.536776513153214d-2*t13*t15*t19*t3 437 2 3*t15*t18*t35+t18*t35-3.536776513153214d-2*t13*t15*t19*t3 1058 4 t10*t35*t37*t94+2.659615202676212d-1*t10*t33*t35*(1.41371 1757 2 5*t35*t91-6.649038006690531d-2*t10*t20*t35*t84*t9+2.65961 1867 : 9d-1*t10*t35*t41*t52*t9+1.994711402007159d-1*t15*t20*t35* 1981 4 2*t10*t35*t42*t8*t84*t9-8.865384008920708d-2*t15*t23*t35* 2579 4 t33*t35*(1.5957691216057274d+0*t10*t35*t77*t80-1.99471140 3079 2 5*t35*t91-6.649038006690531d-2*t10*t20*t35*t84*t9+2.65961 [all …]
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H A D | nwxcm_c_sogga.F | 208 1 t17*t38+t16*t37+t15*t36+t18*t35**5.0d+0+t10*t35 890 3 *t35*t38*t59+1.3514176477953838d-2*t10*t12*t34*t35*t59+6. 893 6 1*t34*t35*t42*t44+2.7028352955907675d-2*t12*t19*t34*t35*t 901 2 *t35*t40*t58*t91-8.108505886772304d-2*t12*t16*t34*t35*t39 907 8 *t35*t58*t89+6.75708823897692d-2*t12*t23*t34*t35*t42*t46* 913 > 1*t34*t35*t43*t60+1.3514176477953838d-2*t12*t24*t34*t35*t 923 3 4*t35*t38*t59+2.7028352955907675d-2*t10*t12*t34*t35*t59+1 926 6 *t21*t34*t35*t42*t44+5.405670591181535d-2*t12*t19*t34*t35 936 4 t16*t34*t35*t38*t59-4.578602889172455d-4*t12*t15*t34*t35* 939 7 34*t35*t42*t45-4.5786028891724556d-3*t101*t12*t23*t34*t35 [all …]
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H A D | nwxcm_x_m06_2x.F | 267 t35 = t9**3 776 1 3*t6+t53-4.0d+0*t35*t36*t37-6.0d+0*t33*t35*t37-6.0d+0*t32 973 5 *t34*t35*t73+6.077066496460795d+1*t31*t33*t35*t73-6.07706 1028 t103 = -6.0d+0*t34*t35-8.0d+0*t31*t35 1056 2 *t35-8.0d+0*t31*t33*t35-8.0d+0*t30*t31*t32-1.0d+1*t28*t30 1098 < t30*t31*t35*t5+4.616342150300784d+3*t28*t30*t35*t5+4.6163 1351 1 3*t6+t53-4.0d+0*t35*t36*t37-6.0d+0*t33*t35*t37-6.0d+0*t32 1539 1 3*t6+t53-4.0d+0*t35*t36*t37-6.0d+0*t33*t35*t37-6.0d+0*t32 1870 t62 = -6.0d+0*t34*t35-8.0d+0*t31*t35 3113 t62 = -6.0d+0*t34*t35-8.0d+0*t31*t35 [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 | 235 6 2*t35*t38*t44-2.9442311408671007d-2*gammabb*t20*t35*t37*t 252 5 20*t35*t37+7.360577852167751d-3*t16*t35*t36+3.68028892608 656 6 mabb*t20*t35*t37*t47-1.962820760578067d-2*gammabb*t16*t35 693 2 155704335503d-2*t22*t35*t38+1.1040866778251626d-2*t20*t35 729 8 abb*t24*t35*t39*t62+1.4394018910905823d-1*gammabb*t22*t35 740 3 2*t35*t38*t58*t60-2.8894990036171964d-4*t20*t35*t37*t58*t 791 = *t35*t37*t65+7.22374750904299d-5*gammabb*t16*t35*t36*t65+ 797 3 *t35*t38*t47-2.9442311408671007d-2*t20*t35*t37*t47-1.9628 804 : 8*t35*t38+1.1040866778251626d-2*t20*t28*t35*t37+7.3605778 828 6 1214d-5*t16*t28*t35*t36-1.3544526579455607d-5*t25*t28*t35 [all …]
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H A D | nwxcm_x_camb88.F | 189 2 13*t15*t18*t35+t18*t35-3.536776513153214d-2*t13*t15*t19*t 256 t42 = 1/t35 375 2 3*t15*t18*t35+t18*t35-3.536776513153214d-2*t13*t15*t19*t3 437 2 3*t15*t18*t35+t18*t35-3.536776513153214d-2*t13*t15*t19*t3 1058 4 t10*t35*t37*t94+2.659615202676212d-1*t10*t33*t35*(1.41371 1757 2 5*t35*t91-6.649038006690531d-2*t10*t20*t35*t84*t9+2.65961 1867 : 9d-1*t10*t35*t41*t52*t9+1.994711402007159d-1*t15*t20*t35* 1981 4 2*t10*t35*t42*t8*t84*t9-8.865384008920708d-2*t15*t23*t35* 2579 4 t33*t35*(1.5957691216057274d+0*t10*t35*t77*t80-1.99471140 3079 2 5*t35*t91-6.649038006690531d-2*t10*t20*t35*t84*t9+2.65961 [all …]
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H A D | nwxcm_c_sogga.F | 208 1 t17*t38+t16*t37+t15*t36+t18*t35**5.0d+0+t10*t35 890 3 *t35*t38*t59+1.3514176477953838d-2*t10*t12*t34*t35*t59+6. 893 6 1*t34*t35*t42*t44+2.7028352955907675d-2*t12*t19*t34*t35*t 901 2 *t35*t40*t58*t91-8.108505886772304d-2*t12*t16*t34*t35*t39 907 8 *t35*t58*t89+6.75708823897692d-2*t12*t23*t34*t35*t42*t46* 913 > 1*t34*t35*t43*t60+1.3514176477953838d-2*t12*t24*t34*t35*t 923 3 4*t35*t38*t59+2.7028352955907675d-2*t10*t12*t34*t35*t59+1 926 6 *t21*t34*t35*t42*t44+5.405670591181535d-2*t12*t19*t34*t35 936 4 t16*t34*t35*t38*t59-4.578602889172455d-4*t12*t15*t34*t35* 939 7 34*t35*t42*t45-4.5786028891724556d-3*t101*t12*t23*t34*t35 [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_xc_zlp.c | 29 double t28, t34, t35, t39, t42; in func_unpol() local 76 t35 = 0.1e1 / t34; in func_unpol() 78 …t42 = -0.22222222222222222221e0 / t28 * t14 + 0.11728474554722599292e2 / t1 / t28 * t35 + 0.210524… in func_unpol() 135 double t28, t34, t35, t39, t42; in func_ferr() local 182 t35 = 0.1e1 / t34; in func_ferr() 184 …t42 = -0.22222222222222222221e0 / t28 * t14 + 0.11728474554722599292e2 / t1 / t28 * t35 + 0.210524… in func_ferr() 241 double t29, t35, t36, t40, t43; in func_pol() local 291 t35 = t5 * t5; in func_pol() 292 t36 = 0.1e1 / t35; in func_pol() 311 t63 = 0.1e1 / t35 / t5; in func_pol() [all …]
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