/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
H A D | nwxcm_c_sogga.F | 379 1 9*t96 387 1 *t96 3854 : t96-1.9057499577284287d-2*t100*t104*t188*t31*t36*t96+1.27 3873 : *t96+1.9057499577284287d-2*t100*t104*t188*t31*t36*t96-1.2 3996 3 t96+6.352499859094763d-3*t104*t117*t191*t31*t36*t96+6.352 4145 2 36*t96+6.352499859094763d-3*t100*t104*t233*t31*t36*t96+1. 4575 > *t38*t39*t96+8.967612102177553d-6*t196*t201*t261*t30*t96 4635 ? t96 4693 ? *t96 4809 : *t96) [all …]
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H A D | nwxcm_x_m11.F | 843 1 4*t96-1.2407009817988002d+0*t103*t130*t131*t96-9.30525736 2028 1 t96-1.890381166699927d-3*t12*t50*t63*t96+3.61210462527997 2281 1 *t94*t96-1.890381166699927d-3*t106*t12*t50*t96+3.61210462 2782 3 54*t95*t96-9.305257363491002d-1*t132*t133*t165*t96-9.3052 2802 1 *t96-9.305257363491002d-1*t104*t132*t173*t96+t134*t174*t9 2983 1 t96+4.6163421503007845d+2*t128*t90*t96+1.3849026450902355 2985 3 t96-4.1547079352707067d+3*t124*t127*t89*t96+1.38490264509 2987 5 *t89*t96+2.769805290180471d+3*t124*t127*t88*t96-7.3861474 2989 7 123*t88*t96+4.616342150300784d+3*t122*t125*t87*t96-1.1540 2991 9 8*t121*t87*t96+6.924513225451178d+3*t120*t123*t86*t96-1.6 [all …]
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H A D | nwxcm_c_vs98.F | 864 t103 = t100*t96*t99+t94*t96*t97*t98+t102*t92*t98+t93*t95*t 933 1 47*t96*t98*t99*taua-3.3333333333333337d+0*t47*t94*t96*t 938 6 *t93*t94*t96-3.04966d-3*t101*t105*t94*t96-6.09932d-3*t1 963 5 3*t94*t96+3.04966d-52*t101*t141*t94*t96+6.09932d-52*t11 983 2 3.04966d-3*t102*t47*t96*t98+2*t47*t93*t94*t96-3.04966d- 997 3 102*t49*t96*t98+2.0d+0*t49*t94*t96*t97-6.09932d-3*t101* 1122 t103 = t100*t96*t99+t94*t96*t97*t98+t102*t92*t98+t93*t95*t 1195 5 3*t94*t96+3.04966d-52*t101*t110*t94*t96+6.09932d-52*t11 1214 1 47*t96*t98*t99*taub-3.3333333333333337d+0*t47*t94*t96*t 1219 6 *t93*t94*t96-3.04966d-3*t101*t136*t94*t96-6.09932d-3*t1 [all …]
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H A D | nwxcm_x_m06.F | 420 t98 = t54*t96*t97+t49*t94*t95*t96+gammabb*t53*t59*t91*t96+t5 474 4 t91*t96-2.6666666666666666d+0*gammabb*t112*t53*t91*t96-ga 507 2 6+2*gammabb*t49*t95*t96-1.86726d-3*t57*t59*t91*t96+t53*t5 528 2 0d+0*t54*t90*t91*t96-3.73452d-3*gammabb*t116*t56*t96+2.0d 1376 t98 = t54*t96*t97+t49*t94*t95*t96+gammabb*t53*t59*t91*t96+t5 1440 3 +0*t116*t49*t94*t96-t119*t57*t91*t96-2.6666666666666666d+ 1441 4 0*gammabb*t117*t53*t91*t96-gammabb*t119*t56*t59*t96-2*t11 1457 1 95*t96+2*gammabb*t49*t95*t96-1.86726d-3*t57*t59*t91*t96+t 3428 t98 = t54*t96*t97+t49*t94*t95*t96+gammabb*t53*t59*t91*t96+t5 3509 1 95*t96+2*gammabb*t49*t95*t96-1.86726d-3*t57*t59*t91*t96+t [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 | 379 1 9*t96 387 1 *t96 3854 : t96-1.9057499577284287d-2*t100*t104*t188*t31*t36*t96+1.27 3873 : *t96+1.9057499577284287d-2*t100*t104*t188*t31*t36*t96-1.2 3996 3 t96+6.352499859094763d-3*t104*t117*t191*t31*t36*t96+6.352 4145 2 36*t96+6.352499859094763d-3*t100*t104*t233*t31*t36*t96+1. 4575 > *t38*t39*t96+8.967612102177553d-6*t196*t201*t261*t30*t96 4635 ? t96 4693 ? *t96 4809 : *t96) [all …]
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H A D | nwxcm_x_m11.F | 843 1 4*t96-1.2407009817988002d+0*t103*t130*t131*t96-9.30525736 2028 1 t96-1.890381166699927d-3*t12*t50*t63*t96+3.61210462527997 2281 1 *t94*t96-1.890381166699927d-3*t106*t12*t50*t96+3.61210462 2782 3 54*t95*t96-9.305257363491002d-1*t132*t133*t165*t96-9.3052 2802 1 *t96-9.305257363491002d-1*t104*t132*t173*t96+t134*t174*t9 2983 1 t96+4.6163421503007845d+2*t128*t90*t96+1.3849026450902355 2985 3 t96-4.1547079352707067d+3*t124*t127*t89*t96+1.38490264509 2987 5 *t89*t96+2.769805290180471d+3*t124*t127*t88*t96-7.3861474 2989 7 123*t88*t96+4.616342150300784d+3*t122*t125*t87*t96-1.1540 2991 9 8*t121*t87*t96+6.924513225451178d+3*t120*t123*t86*t96-1.6 [all …]
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H A D | nwxcm_c_vs98.F | 864 t103 = t100*t96*t99+t94*t96*t97*t98+t102*t92*t98+t93*t95*t 933 1 47*t96*t98*t99*taua-3.3333333333333337d+0*t47*t94*t96*t 938 6 *t93*t94*t96-3.04966d-3*t101*t105*t94*t96-6.09932d-3*t1 963 5 3*t94*t96+3.04966d-52*t101*t141*t94*t96+6.09932d-52*t11 983 2 3.04966d-3*t102*t47*t96*t98+2*t47*t93*t94*t96-3.04966d- 997 3 102*t49*t96*t98+2.0d+0*t49*t94*t96*t97-6.09932d-3*t101* 1122 t103 = t100*t96*t99+t94*t96*t97*t98+t102*t92*t98+t93*t95*t 1195 5 3*t94*t96+3.04966d-52*t101*t110*t94*t96+6.09932d-52*t11 1214 1 47*t96*t98*t99*taub-3.3333333333333337d+0*t47*t94*t96*t 1219 6 *t93*t94*t96-3.04966d-3*t101*t136*t94*t96-6.09932d-3*t1 [all …]
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H A D | nwxcm_x_m06.F | 420 t98 = t54*t96*t97+t49*t94*t95*t96+gammabb*t53*t59*t91*t96+t5 474 4 t91*t96-2.6666666666666666d+0*gammabb*t112*t53*t91*t96-ga 507 2 6+2*gammabb*t49*t95*t96-1.86726d-3*t57*t59*t91*t96+t53*t5 528 2 0d+0*t54*t90*t91*t96-3.73452d-3*gammabb*t116*t56*t96+2.0d 1376 t98 = t54*t96*t97+t49*t94*t95*t96+gammabb*t53*t59*t91*t96+t5 1440 3 +0*t116*t49*t94*t96-t119*t57*t91*t96-2.6666666666666666d+ 1441 4 0*gammabb*t117*t53*t91*t96-gammabb*t119*t56*t59*t96-2*t11 1457 1 95*t96+2*gammabb*t49*t95*t96-1.86726d-3*t57*t59*t91*t96+t 3428 t98 = t54*t96*t97+t49*t94*t95*t96+gammabb*t53*t59*t91*t96+t5 3509 1 95*t96+2*gammabb*t49*t95*t96-1.86726d-3*t57*t59*t91*t96+t [all …]
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
H A D | i1322AB.cc | 99 double t96; in i1322eAB() local 368 t96=t27*t62; in i1322eAB() 370 t98=t97+t96; in i1322eAB() 371 t96=t1*t98; in i1322eAB() 373 t97=t11*t96; in i1322eAB() 504 t25=t96+t73; in i1322eAB() 603 t96=t85+t7; in i1322eAB() 605 t96=t7+t10; in i1322eAB() 623 t96=t3*t90; in i1322eAB() 703 t96=t3*t15; in i1322eAB() [all …]
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H A D | i2322AB.cc | 99 double t96; in i2322eAB() local 361 t96=t27*t62; in i2322eAB() 363 t98=t97+t96; in i2322eAB() 364 t96=t1*t98; in i2322eAB() 365 t97=t11*t96; in i2322eAB() 495 t25=t96+t73; in i2322eAB() 592 t96=t85+t7; in i2322eAB() 594 t96=t7+t10; in i2322eAB() 611 t96=t3*t90; in i2322eAB() 687 t96=t3*t15; in i2322eAB() [all …]
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H A D | i0322AB.cc | 99 double t96; in i0322eAB() local 368 t96=t27*t62; in i0322eAB() 370 t98=t97+t96; in i0322eAB() 371 t96=t1*t98; in i0322eAB() 373 t97=t11*t96; in i0322eAB() 504 t25=t96+t73; in i0322eAB() 603 t96=t85+t7; in i0322eAB() 605 t96=t7+t10; in i0322eAB() 623 t96=t3*t90; in i0322eAB() 703 t96=t3*t15; in i0322eAB() [all …]
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H A D | i0333AB.cc | 99 double t96; in i0333eAB() local 474 t96=t64*t43; in i0333eAB() 476 t97=t43+t96; in i0333eAB() 478 t96=t43+t93; in i0333eAB() 479 t43=t4*t96; in i0333eAB() 1118 t13=t1*t96; in i0333eAB() 1130 t96=t1*t26; in i0333eAB() 1364 t97=t7+t96; in i0333eAB() 1365 t96=t9*t97; in i0333eAB() 1613 t66=t6*t96; in i0333eAB() [all …]
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H A D | i1333AB.cc | 99 double t96; in i1333eAB() local 474 t96=t64*t43; in i1333eAB() 476 t97=t43+t96; in i1333eAB() 478 t96=t43+t93; in i1333eAB() 479 t43=t4*t96; in i1333eAB() 1118 t13=t1*t96; in i1333eAB() 1130 t96=t1*t26; in i1333eAB() 1364 t97=t7+t96; in i1333eAB() 1365 t96=t9*t97; in i1333eAB() 1613 t66=t6*t96; in i1333eAB() [all …]
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H A D | i2333AB.cc | 99 double t96; in i2333eAB() local 468 t96=t64*t43; in i2333eAB() 470 t97=t43+t96; in i2333eAB() 472 t96=t43+t93; in i2333eAB() 473 t43=t4*t96; in i2333eAB() 1104 t13=t1*t96; in i2333eAB() 1115 t96=t1*t26; in i2333eAB() 1338 t97=t7+t96; in i2333eAB() 1339 t96=t9*t97; in i2333eAB() 1580 t66=t6*t96; in i2333eAB() [all …]
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H A D | i3302AB.cc | 99 double t96; in i3302eAB() local 358 t96=t95+t94; in i3302eAB() 359 t94=t1*t96; in i3302eAB() 643 t34=t50*t96; in i3302eAB() 740 t31=t51+t96; in i3302eAB() 742 t96=t51+t42; in i3302eAB() 743 t42=t50*t96; in i3302eAB() 748 t96=t43+t42; in i3302eAB() 749 t42=t6*t96; in i3302eAB() 843 t14=t19*t96; in i3302eAB() [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | fun-1-4.c | 755 t96; in f14_second() 902 t96; in f14_second() 944 t96; in f14_second() 1434 t96; in f14_third() 1591 t96; in f14_third() 1645 t96; in f14_third() 1648 t96; in f14_third() 1650 t96; in f14_third() 1779 t96; in f14_third() 1782 t96; in f14_third() [all …]
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H A D | fun-b97-k.c | 656 t96 = 1/t77; in b97_k_second() 812 t75*t96; in b97_k_second() 919 t95*t75*t96-0.58482233974552*t66*t113*t94*t71*t95*t75*t96- in b97_k_second() 1910 t114*t95*t96*t76*t97-0.58482233974552*t67*t247*t95*t72*t96* in b97_k_third() 1945 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t108* in b97_k_third() 1983 t114*t95*t96*t76*t97-0.58482233974552*t67*t304*t95*t72*t96* in b97_k_third() 2018 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t161* in b97_k_third() 3170 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t108* in b97_k_fourth() 3244 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t161* in b97_k_fourth() 3988 t96*t76*t97-7.017868076946245*t67*t247*t95*t72*t96*t76*t97- in b97_k_fourth() [all …]
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H A D | fun-b97.c | 656 t96 = 1/t77; in b97_second() 812 t75*t96; in b97_second() 1914 t114*t95*t96*t76*t97-.5848223397455204*t67*t247*t95*t72*t96* in b97_third() 1949 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t108* in b97_third() 1986 t114*t95*t96*t76*t97-.5848223397455204*t67*t304*t95*t72*t96* in b97_third() 2021 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t161* in b97_third() 3084 t96*t76*t97-3.508934038473122*t67*t71*t95*t72*t96*t108*t97- in b97_fourth() 3174 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t108* in b97_fourth() 3247 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t161* in b97_fourth() 3365 t96*t76*t97-3.508934038473122*t67*t71*t95*t72*t96*t161*t97+ in b97_fourth() [all …]
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H A D | fun-b97-2.c | 657 t96 = 1/t77; in b97_2_second() 813 t75*t96; in b97_2_second() 1914 t114*t95*t96*t76*t97-.5848223397455204*t67*t247*t95*t72*t96* in b97_2_third() 1949 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t108* in b97_2_third() 1988 t114*t95*t96*t76*t97-.5848223397455204*t67*t304*t95*t72*t96* in b97_2_third() 2023 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t161* in b97_2_third() 3089 t96*t76*t97-3.508934038473122*t67*t71*t95*t72*t96*t108*t97- in b97_2_fourth() 3179 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t108* in b97_2_fourth() 3252 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t161* in b97_2_fourth() 3371 t96*t76*t97-3.508934038473122*t67*t71*t95*t72*t96*t161*t97+ in b97_2_fourth() [all …]
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H A D | fun-b97-1.c | 658 t96 = 1/t77; in b97_1_second() 814 t75*t96; in b97_1_second() 1916 t114*t95*t96*t76*t97-.5848223397455204*t67*t247*t95*t72*t96* in b97_1_third() 1951 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t108* in b97_1_third() 1990 t114*t95*t96*t76*t97-.5848223397455204*t67*t304*t95*t72*t96* in b97_1_third() 2025 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t161* in b97_1_third() 3094 t96*t76*t97-3.508934038473122*t67*t71*t95*t72*t96*t108*t97- in b97_1_fourth() 3185 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t108* in b97_1_fourth() 3258 t72*t96*t76*t97-2.339289358982082*t67*t71*t95*t72*t96*t161* in b97_1_fourth() 3377 t96*t76*t97-3.508934038473122*t67*t71*t95*t72*t96*t161*t97+ in b97_1_fourth() [all …]
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H A D | fun-b97-3.c | 802 t96; in b97_3_second() 976 t96; in b97_3_second() 1018 t96; in b97_3_second() 1631 t96; in b97_3_third() 1824 t96; in b97_3_third() 1878 t96; in b97_3_third() 1881 t96; in b97_3_third() 1883 t96; in b97_3_third() 2057 t96; in b97_3_third() 2060 t96; in b97_3_third() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_x_ev93.c | 152 t96 = t70 * t95; in func_unpol() 315 …t96 * t433 + t215 * t249 / 0.2e1 + 0.3e1 / 0.8e1 * t96 * t438 - 0.3e1 / 0.4e1 * t96 * t441 + 0.3e1… in func_unpol() 333 ….9e1 / 0.16e2 * t96 * t489 - 0.9e1 / 0.8e1 * t96 * t492 + 0.9e1 / 0.16e2 * t96 * t495 + 0.9e1 / 0.… in func_unpol() 532 t97 = t89 * t96; in func_ferr() 567 t162 = t96 * t96; in func_ferr() 587 t207 = t121 * t96; in func_ferr() 617 t258 = t162 * t96; in func_ferr() 619 t263 = t96 * t173; in func_ferr() 644 t341 = t217 * t96; in func_ferr() 676 t428 = t236 * t96; in func_ferr() [all …]
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H A D | gga_x_g96.c | 289 t96 = t81 * t59; in func_ferr() 557 t96 = -t91; in func_pol() 558 t97 = t49 * t96; in func_pol() 670 t222 = t96 * t79; in func_pol() 694 t256 = t96 * t96; in func_pol() 699 t262 = t236 * t96; in func_pol() 753 t315 = t307 * t96; in func_pol() 899 t494 = t96 * t186; in func_pol() 914 t520 = t96 * t177; in func_pol() 964 t613 = t96 * t8; in func_pol() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_k_tf.c | 206 double t90, t93, t96, t99, t102, t107, t111, t114; in func_pol() local 312 t96 = t74 * t48; in func_pol() 314 …t102 = 0.5e1 / 0.9e1 * t90 * t35 + 0.5e1 / 0.3e1 * t93 * t68 + 0.5e1 / 0.9e1 * t96 * t37 - 0.5e1 /… in func_pol() 359 … 0.27e2 * t187 * t75 - 0.20e2 / 0.9e1 * t190 * t68 * t37 + 0.5e1 / 0.9e1 * t96 * t78 - 0.5e1 / 0.3… in func_pol() 370 …0.5e1 / 0.6e1 * t7 * t219 - 0.5e1 / 0.27e2 * t222 * t37 - 0.20e2 / 0.9e1 * t96 * t69 + 0.5e1 / 0.9… in func_pol() 378 …0.5e1 / 0.6e1 * t7 * t245 - 0.5e1 / 0.27e2 * t151 * t248 + 0.5e1 / 0.3e1 * t96 * t117 + 0.5e1 / 0.… in func_pol() 411 …- t369 + 0.5e1 / 0.9e1 * t90 * t147 - 0.10e2 * t7 * t144 + 0.5e1 / 0.9e1 * t96 * t158 + 0.10e2 * t… in func_pol() 419 …t78 + 0.40e2 / 0.9e1 * t74 * t402 * t405 - 0.20e2 / 0.9e1 * t96 * t68 + 0.20e2 / 0.3e1 * t96 * t14… in func_pol() 425 …* t187 * t117 * t37 - 0.10e2 / 0.3e1 * t190 * t68 * t117 + 0.5e1 / 0.3e1 * t96 * t230 + 0.5e1 / 0.… in func_pol() 435 …10e2 / 0.9e1 * t222 * t117 + 0.5e1 / 0.3e1 * t74 * t521 + 0.20e2 / 0.9e1 * t96 * t253 - 0.5e1 / 0.… in func_pol()
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H A D | lda_c_2d_prm.c | 34 double t96, t97, t98, t100, t102, t104, t107, t108; in func_unpol() local 136 t97 = t1 * t96; in func_unpol() 144 t113 = t96 * t16; in func_unpol() 176 t177 = t34 * t96; in func_unpol() 183 t191 = t21 * t96 * t16; in func_unpol() 224 t289 = t82 * t96; in func_unpol() 373 t97 = t1 * t96; in func_ferr() 381 t113 = t96 * t16; in func_ferr() 413 t177 = t34 * t96; in func_ferr() 420 t191 = t21 * t96 * t16; in func_ferr() [all …]
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