/dports/science/ergo/ergo-3.8/source/dft/ |
H A D | fun-pw92c.c | 556 t36 = 1/t19; in pw92c_second() 1027 t36*t41*t5*grada+t258+t257)-2.656434474616293*t36*t21*t76* in pw92c_second() 1031 t36*t29*grada*t3*t39*t100*t111*t77)+5.312868949232586*t36* in pw92c_second() 1043 t36*t41*t5*gradb+t267+t266)-2.656434474616293*t36*t21*t76* in pw92c_second() 1047 t36*t29*gradb*t3*t39*t100*t111*t77)+5.312868949232586*t36* in pw92c_second() 1063 t36*t21*t76*t180*t207*t145-2.656434474616293*t36*t21*t183* in pw92c_second() 1078 t284*t3*t36*t40*t5+2.333333333333333*t102*t151*t21*t3*t36* in pw92c_second() 1108 t36*t41*t5*grada+t258+t257)-2.656434474616293*t36*t21*t76* in pw92c_second() 1112 t36*t29*grada*t3*t39*t151*t111*t77)+5.312868949232586*t36* in pw92c_second() 1124 t36*t41*t5*gradb+t267+t266)-2.656434474616293*t36*t21*t76* in pw92c_second() [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | fun-pw92c.c | 560 t36 = 1/t19; in pw92c_second() 1031 t36*t41*t5*grada+t258+t257)-2.656434474616293*t36*t21*t76* in pw92c_second() 1035 t36*t29*grada*t3*t39*t100*t111*t77)+5.312868949232586*t36* in pw92c_second() 1047 t36*t41*t5*gradb+t267+t266)-2.656434474616293*t36*t21*t76* in pw92c_second() 1051 t36*t29*gradb*t3*t39*t100*t111*t77)+5.312868949232586*t36* in pw92c_second() 1067 t36*t21*t76*t180*t207*t145-2.656434474616293*t36*t21*t183* in pw92c_second() 1082 t284*t3*t36*t40*t5+2.333333333333333*t102*t151*t21*t3*t36* in pw92c_second() 1112 t36*t41*t5*grada+t258+t257)-2.656434474616293*t36*t21*t76* in pw92c_second() 1116 t36*t29*grada*t3*t39*t151*t111*t77)+5.312868949232586*t36* in pw92c_second() 1128 t36*t41*t5*gradb+t267+t266)-2.656434474616293*t36*t21*t76* in pw92c_second() [all …]
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H A D | fun-pw91nc.c | 235 t37 = 16.0818243221511/t36+1.0; in pw91nc_first() 413 t35*t22*grada*t3*t36*t51; in pw91nc_second() 422 t35*t22*gradb*t3*t36*t51; in pw91nc_second() 457 t32*t36*t47*t51*t97-0.010866451862236*t32*t36*t47*t51*t96+ in pw91nc_second() 940 t35*t22*t36*t53*t49; in pw91nc_third() 980 t36*t63+0.021732903724472*t112*t198*t32*t36*t63-0.032599355586708* in pw91nc_third() 1321 gradb*t36*t84*t62*t49-0.195265757395493*t21*t156*grada*t36* in pw91nc_third() 1335 t35*t22*t36*t70*t62*t49-0.14701341912354*t35*t22*grada*t36* in pw91nc_third() 1338 t36*t50*t70*t102*t51+0.781063029581974*t21*t156*grada*t36* in pw91nc_third() 1358 gradb*t36*t77*t62*t51+0.781063029581974*t21*t156*gradb*t36* in pw91nc_third() [all …]
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H A D | fun-lg93.c | 291 t37 = 1/t36; in lg93_second_helper() 417 t37 = 1/t36; in lg93_third_helper() 464 t45-0.024350299324*t48*t26*t49*t36+0.024974*t56*t26*t35*t36+ in lg93_third_helper() 627 t37 = 1/t36; in lg93_fourth_helper() 707 t45-0.024350299324*t48*t26*t49*t36+0.024974*t56*t26*t35*t36+ in lg93_fourth_helper() 723 t36-0.073050897972*t56*t34*t26*t49*t36+0.024974*t75*t26*t35* in lg93_fourth_helper() 751 t43*t26*t49*t36+0.048092474272682*t81*t26*t68*t36-3.7461E-10* in lg93_fourth_helper() 795 t36-0.073050897972*t56*t58*t26*t49*t36-0.024350299324*t75* in lg93_fourth_helper() 796 t43*t26*t49*t36-0.073050897972*t77*t34*t26*t49*t36+0.024974* in lg93_fourth_helper() 828 t58*t34*t43*t26*t68*t36-0.024350299324*t56*t61*t26*t49*t36- in lg93_fourth_helper() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
H A D | nwxcm_c_sogga.F | 1300 3 04*t31*t36*t95*t96-2.1174999530315877d-3*t173*t31*t33*t36 1349 8 8*t31*t32*t36*t37+6.352499859094763d-3*t104*t197*t31*t36* 1359 8 18*t31*t32*t36*t37-6.352499859094763d-3*t104*t197*t31*t36 1396 4 t36*t96-1.2704999718189527d-2*t214*t31*t32*t36*t37-6.3524 1413 3 t33*t36*t37*t49*t50-2.1174999530315877d-3*t107*t33*t36*t3 1416 6 *t33*t36*t37*t38*t42*t43-6.352499859094763d-3*t33*t36*t37 1431 5 t36*t37*t51*t54+1.2704999718189527d-2*t106*t188*t33*t36*t 1442 @ 185*t33*t36*t37*t40*t43-6.352499859094763d-3*t105*t33*t36 1450 3 *t33*t36*t37*t49*t50-4.2349999060631754d-3*t107*t33*t36*t 1453 6 -2*t33*t36*t37*t38*t42*t43-1.2704999718189527d-2*t33*t36* [all …]
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H A D | nwxcm_c_vwn4.F | 228 t37 = t36**2 1068 1 t36*t68 1241 1 t36*t68 2002 > *t36*t40*t45*t75*t76-3.9381165894987163d-1*t107*t108*t36* 2006 2 *t150*t151*t36*t40*t44*t45-2.917123399628679d-1*t201*t36* 2008 4 97*t198*t36*t40-2.625411059665811d-1*t101*t108*t36*t40-1. 2242 1 t36*t68 2276 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4 2453 < t36*t44+4.947718859586276d+1*t100*t101*t102*t36)*wght+3.0 2605 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4 [all …]
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H A D | nwxcm_c_vwn5.F | 228 t37 = t36**2 345 t36 = 1/t2**3 428 t36 = 1/t2**3 738 t37 = t36**2 1051 1 *t36*t68 1224 1 *t36*t68 2002 > *t36*t40*t45*t75*t76-3.9381165894987163d-1*t107*t108*t36* 2006 2 *t150*t151*t36*t40*t44*t45-2.917123399628679d-1*t201*t36* 2008 4 97*t198*t36*t40-2.625411059665811d-1*t101*t108*t36*t40-1. 2276 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4 [all …]
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H A D | nwxcm_x_sogga.F | 210 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36 634 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36 922 : mmaaa*t14*t35*t36+7.22374750904299d-5*gammaaa*t13*t33*t36 925 = t15*t23*t36+1.8059368772607476d-4*gammaaa*t15*t21*t22*t36 1041 : mmabb*t14*t35*t36+7.22374750904299d-5*gammabb*t13*t33*t36 1044 = t15*t23*t36+1.8059368772607476d-4*gammabb*t15*t21*t22*t36 1268 7 *t19*t22*t36*t38-4.334248505425794d-4*gammaaa*t17*t20*t36 1322 3 t17*t20*t3*t36+8.126715947673364d-5*t16*t18*t3*t36+2.7089 1353 7 3*t16*t18*t31*t36*t47-2.1189659359859436d-3*t14*t31*t36*t 1431 ? t22*t36*t51+4.785386033224242d-6*gammaaa*t17*t20*t36*t51+ [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
H A D | nwxcm_c_sogga.F | 1300 3 04*t31*t36*t95*t96-2.1174999530315877d-3*t173*t31*t33*t36 1349 8 8*t31*t32*t36*t37+6.352499859094763d-3*t104*t197*t31*t36* 1359 8 18*t31*t32*t36*t37-6.352499859094763d-3*t104*t197*t31*t36 1396 4 t36*t96-1.2704999718189527d-2*t214*t31*t32*t36*t37-6.3524 1413 3 t33*t36*t37*t49*t50-2.1174999530315877d-3*t107*t33*t36*t3 1416 6 *t33*t36*t37*t38*t42*t43-6.352499859094763d-3*t33*t36*t37 1431 5 t36*t37*t51*t54+1.2704999718189527d-2*t106*t188*t33*t36*t 1442 @ 185*t33*t36*t37*t40*t43-6.352499859094763d-3*t105*t33*t36 1450 3 *t33*t36*t37*t49*t50-4.2349999060631754d-3*t107*t33*t36*t 1453 6 -2*t33*t36*t37*t38*t42*t43-1.2704999718189527d-2*t33*t36* [all …]
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H A D | nwxcm_c_vwn4.F | 228 t37 = t36**2 1068 1 t36*t68 1241 1 t36*t68 2002 > *t36*t40*t45*t75*t76-3.9381165894987163d-1*t107*t108*t36* 2006 2 *t150*t151*t36*t40*t44*t45-2.917123399628679d-1*t201*t36* 2008 4 97*t198*t36*t40-2.625411059665811d-1*t101*t108*t36*t40-1. 2242 1 t36*t68 2276 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4 2453 < t36*t44+4.947718859586276d+1*t100*t101*t102*t36)*wght+3.0 2605 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4 [all …]
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H A D | nwxcm_c_vwn5.F | 228 t37 = t36**2 345 t36 = 1/t2**3 428 t36 = 1/t2**3 738 t37 = t36**2 1051 1 *t36*t68 1224 1 *t36*t68 2002 > *t36*t40*t45*t75*t76-3.9381165894987163d-1*t107*t108*t36* 2006 2 *t150*t151*t36*t40*t44*t45-2.917123399628679d-1*t201*t36* 2008 4 97*t198*t36*t40-2.625411059665811d-1*t101*t108*t36*t40-1. 2276 : 0592240396d-2*t36*t58*t60*t68+4.176057139642926d-2*t36*t4 [all …]
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H A D | nwxcm_x_sogga.F | 210 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36 634 t40 = t32*t4+t22*t39+t20*t38+t16*t37+t24*t36**5.0d+0+t25*t36 922 : mmaaa*t14*t35*t36+7.22374750904299d-5*gammaaa*t13*t33*t36 925 = t15*t23*t36+1.8059368772607476d-4*gammaaa*t15*t21*t22*t36 1041 : mmabb*t14*t35*t36+7.22374750904299d-5*gammabb*t13*t33*t36 1044 = t15*t23*t36+1.8059368772607476d-4*gammabb*t15*t21*t22*t36 1268 7 *t19*t22*t36*t38-4.334248505425794d-4*gammaaa*t17*t20*t36 1322 3 t17*t20*t3*t36+8.126715947673364d-5*t16*t18*t3*t36+2.7089 1353 7 3*t16*t18*t31*t36*t47-2.1189659359859436d-3*t14*t31*t36*t 1431 ? t22*t36*t51+4.785386033224242d-6*gammaaa*t17*t20*t36*t51+ [all …]
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
H A D | i0202.cc | 39 double t36; in i0202() local 207 t36=t25*t7; in i0202() 208 t37=t36+t35; in i0202() 210 t36=t35+t30; in i0202() 212 t38=t35+t36; in i0202() 214 t36=t35+t33; in i0202() 235 t36=t4*t44; in i0202() 241 t36=t1*t45; in i0202() 530 t8=t36*t5; in i0202() 545 t8=t36*t7; in i0202() [all …]
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H A D | i1212.cc | 39 double t36; in i1212() local 200 t36=t25*t7; in i1212() 201 t37=t36+t35; in i1212() 203 t36=t35+t30; in i1212() 205 t38=t35+t36; in i1212() 207 t36=t35+t33; in i1212() 228 t36=t4*t44; in i1212() 234 t36=t1*t45; in i1212() 517 t8=t36*t5; in i1212() 532 t8=t36*t7; in i1212() [all …]
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H A D | i0212.cc | 39 double t36; in i0212() local 207 t36=t25*t7; in i0212() 208 t37=t36+t35; in i0212() 210 t36=t35+t30; in i0212() 212 t38=t35+t36; in i0212() 214 t36=t35+t33; in i0212() 235 t36=t4*t44; in i0212() 241 t36=t1*t45; in i0212() 530 t8=t36*t5; in i0212() 545 t8=t36*t7; in i0212() [all …]
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H A D | i3302.cc | 39 double t36; in i3302() local 269 t36=t25+t35; in i3302() 287 t37=t23+t36; in i3302() 289 t36=t23+t37; in i3302() 290 t23=t1*t36; in i3302() 843 t4=t36*t88; in i3302() 879 t4=t36*t21; in i3302() 885 t4=t36*t59; in i3302() 892 t4=t36*t92; in i3302() 1210 t9=t36*t97; in i3302() [all …]
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H A D | i2312.cc | 39 double t36; in i2312() local 268 t36=t25+t35; in i2312() 286 t23=t6+t36; in i2312() 288 t36=t6+t23; in i2312() 289 t6=t1*t36; in i2312() 856 t4=t36*t84; in i2312() 894 t4=t36*t21; in i2312() 900 t4=t36*t57; in i2312() 907 t4=t36*t88; in i2312() 913 t4=t36*t99; in i2312() [all …]
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H A D | i3312.cc | 39 double t36; in i3312() local 268 t36=t25+t35; in i3312() 286 t23=t6+t36; in i3312() 288 t36=t6+t23; in i3312() 289 t6=t1*t36; in i3312() 833 t4=t36*t84; in i3312() 868 t4=t36*t21; in i3312() 874 t4=t36*t57; in i3312() 881 t4=t36*t88; in i3312() 887 t4=t36*t99; in i3312() [all …]
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H A D | i1302.cc | 39 double t36; in i1302() local 276 t36=t25+t35; in i1302() 294 t37=t23+t36; in i1302() 296 t36=t23+t37; in i1302() 297 t23=t1*t36; in i1302() 887 t4=t36*t88; in i1302() 930 t4=t36*t21; in i1302() 936 t4=t36*t59; in i1302() 943 t4=t36*t92; in i1302() 1277 t9=t36*t97; in i1302() [all …]
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H A D | i0302.cc | 39 double t36; in i0302() local 282 t36=t25+t35; in i0302() 300 t37=t23+t36; in i0302() 302 t36=t23+t37; in i0302() 303 t23=t1*t36; in i0302() 898 t4=t36*t88; in i0302() 941 t4=t36*t21; in i0302() 947 t4=t36*t59; in i0302() 954 t4=t36*t92; in i0302() 1289 t9=t36*t97; in i0302() [all …]
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H A D | i2302.cc | 39 double t36; in i2302() local 269 t36=t25+t35; in i2302() 287 t37=t23+t36; in i2302() 289 t36=t23+t37; in i2302() 290 t23=t1*t36; in i2302() 869 t4=t36*t88; in i2302() 908 t4=t36*t21; in i2302() 914 t4=t36*t59; in i2302() 921 t4=t36*t92; in i2302() 1247 t9=t36*t97; in i2302() [all …]
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H A D | i0312.cc | 39 double t36; in i0312() local 280 t36=t25+t35; in i0312() 298 t23=t6+t36; in i0312() 300 t36=t6+t23; in i0312() 301 t6=t1*t36; in i0312() 885 t4=t36*t84; in i0312() 923 t4=t36*t21; in i0312() 929 t4=t36*t57; in i0312() 936 t4=t36*t88; in i0312() 942 t4=t36*t99; in i0312() [all …]
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H A D | i1312.cc | 39 double t36; in i1312() local 274 t36=t25+t35; in i1312() 292 t23=t6+t36; in i1312() 294 t36=t6+t23; in i1312() 295 t6=t1*t36; in i1312() 874 t4=t36*t84; in i1312() 912 t4=t36*t21; in i1312() 918 t4=t36*t57; in i1312() 925 t4=t36*t88; in i1312() 931 t4=t36*t99; in i1312() [all …]
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H A D | i1301AB.cc | 39 double t36; in i1301eAB() local 160 t38=t37+t36; in i1301eAB() 161 t36=t2*t38; in i1301eAB() 162 t37=t2*t36; in i1301eAB() 222 t60=t47*t36; in i1301eAB() 239 t64=t56*t36; in i1301eAB() 240 t36=t47*t64; in i1301eAB() 241 t65=t36+t3; in i1301eAB() 243 t36=t56*t49; in i1301eAB() 244 t49=t15+t36; in i1301eAB() [all …]
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H A D | i0301AB.cc | 39 double t36; in i0301eAB() local 160 t38=t37+t36; in i0301eAB() 161 t36=t2*t38; in i0301eAB() 162 t37=t2*t36; in i0301eAB() 222 t60=t47*t36; in i0301eAB() 239 t64=t56*t36; in i0301eAB() 240 t36=t47*t64; in i0301eAB() 241 t65=t36+t3; in i0301eAB() 243 t36=t56*t49; in i0301eAB() 244 t49=t15+t36; in i0301eAB() [all …]
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