| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_x.c | 218 double t154, t155, t157, t161, t162, t165, t168, t171; in func_pol() local
344 t154 = 0.1e1 / t153; in func_pol()
345 t155 = t11 * t154; in func_pol()
362 …* t154 - 0.8e1 / 0.27e2 * t197 * t79 - 0.16e2 / 0.9e1 * t200 * t71 * t37 + 0.4e1 / 0.9e1 * t101 * … in func_pol()
400 t308 = -0.24e2 * t154 + 0.24e2 * t306; in func_pol()
414 …t154 * t35 + 0.8e1 * t200 * t154 * t37 + 0.40e2 / 0.81e2 * t292 * t45 * t147 - 0.8e1 / 0.9e1 * t18… in func_pol()
427 t488 = 0.12e2 * t154 + 0.24e2 * t306; in func_pol()
434 t529 = 0.24e2 * t154 + 0.24e2 * t306; in func_pol()
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| H A D | lda_c_chachiyo_mod.c | 278 double t154, t157, t160, t161, t162, t166, t168, t169; in func_pol() local
438 t154 = t82 * t82; in func_pol()
440 t160 = -t141 * t142 / 0.9e1 + t75 * t149 / 0.3e1 - t153 * t154 / 0.9e1 + t81 * t157 / 0.3e1; in func_pol()
517 t290 = t154 * t82; in func_pol()
543 ….2e1 / 0.3e1 * t75 * t146 - 0.2e1 * t174 * t281 + 0.4e1 / 0.27e2 * t338 * t154 + 0.4e1 / 0.9e1 * t… in func_pol()
622 t534 = t154 * t154; in func_pol()
624 …5 * t528 / 0.3e1 - 0.28e2 / 0.81e2 * t533 * t534 + 0.8e1 / 0.9e1 * t289 * t154 * t157 - t153 * t54… in func_pol()
643 …+ 0.4e1 / 0.9e1 * t338 * t82 * t157 - 0.8e1 / 0.9e1 * t289 * t36 * t146 * t154 + 0.2e1 / 0.3e1 * t… in func_pol()
652 …t154 - 0.32e2 / 0.27e2 * t338 * t82 * t36 * t146 + 0.4e1 / 0.27e2 * t385 * t157 - 0.8e1 / 0.9e1 * … in func_pol()
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| H A D | lda_c_1d_csc.c | 38 double t131, t134, t135, t138, t143, t146, t149, t154; in func_unpol() local
155 t154 = 0.1e1 / t77 / rho[0]; in func_unpol()
156 t157 = -0.6e1 * t3 * t154 - 0.3e1 * t78; in func_unpol()
250 double t131, t134, t135, t138, t143, t146, t149, t154; in func_ferr() local
367 t154 = 0.1e1 / t77 / rho[0]; in func_ferr()
368 t157 = -0.6e1 * t3 * t154 - 0.3e1 * t78; in func_ferr()
462 double t149, t150, t151, t152, t153, t154, t155, t156; in func_pol() local
636 t154 = 0.2e1 * t153; in func_pol()
697 …t261 = -t151 - t154 + t156 - t165 + t171 + t175 - t181 + t196 + t249 + t252 - t254 + t256 - t258 +… in func_pol()
701 t263 = -t151 - t154 + t156 - t165 + t171 + t175 - t181 + t196 + t249 - t254 - t256 + t260; in func_pol()
[all …]
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| H A D | lda_c_2d_amgb.c | 165 t154 = t116 * t153; in func_unpol()
166 t155 = t151 * t154; in func_unpol()
362 t155 = t154 * t76; in func_ferr()
432 t266 = t77 * t154; in func_ferr()
543 t676 = t154 * t154; in func_ferr()
794 t154 = t5 * t61; in func_pol()
796 t156 = t154 * t155; in func_pol()
906 t295 = t154 * t294; in func_pol()
965 t396 = t154 * t395; in func_pol()
1165 t704 = t154 * t703; in func_pol()
[all …]
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| H A D | lda_x_rel.c | 361 double t140, t143, t146, t152, t154, t158, t160, t163; in func_pol() local
510 t154 = t98 * t98; in func_pol()
511 t158 = 0.28125000000000000000e0 * t63 * t64 * t20 * t154; in func_pol()
562 t252 = t22 * t154; in func_pol()
578 t295 = t63 * t64 * t73 * t154; in func_pol()
609 t388 = t64 * t108 * t154; in func_pol()
653 t496 = 0.75000000000000000000e0 * t7 * t21 * t48 * t154; in func_pol()
660 t513 = t63 * t64 * t146 * t154; in func_pol()
701 t664 = t63 * t64 * t203 * t154; in func_pol()
716 t760 = t63 * t64 * t227 * t154; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_b88.c | 36 double t146, t149, t154, t159, t165, t174, t175, t176; in func_unpol() local
642 double t147, t149, t154, t155, t156, t158, t162, t163; in func_pol() local
872 t154 = sigma[2] * t55; in func_pol()
877 t163 = t154 + 0.1e1; in func_pol()
1040 …e2 / 0.27e2 * t99 * t162 * t170 + 0.4e1 / 0.9e1 * t99 * t154 * t415 - 0.2e1 / 0.9e1 * t99 * t154 *… in func_pol()
1125 …4e1 / 0.9e1 * t21 * t204 * t215 + 0.4e1 / 0.9e1 * t99 * t154 * t586 - 0.2e1 / 0.9e1 * t99 * t154 *… in func_pol()
1370 … t162 * t440 - 0.4e1 / 0.3e1 * t99 * t154 * t1050 + 0.4e1 / 0.3e1 * t99 * t154 * t1055 - 0.2e1 / 0… in func_pol()
1522 …t154 * t1405 + 0.8e1 / 0.9e1 * t99 * t154 * t1409 + 0.16e2 / 0.27e2 * t99 * t162 * t606 + 0.4e1 / … in func_pol()
1572 … t204 * t606 - 0.4e1 / 0.3e1 * t99 * t154 * t1495 + 0.4e1 / 0.3e1 * t99 * t154 * t1499 - 0.2e1 / 0… in func_pol()
1829 …t154 * t1048 * t541 * t414 + 0.4e1 / 0.3e1 * t99 * t154 * t413 * t1306 * t169 + 0.4e1 / 0.3e1 * t9… in func_pol()
[all …]
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| H A D | gga_x_mpbe.c | 696 double t136, t142, t143, t145, t146, t147, t154, t155; in func_pol() local
924 t154 = params->c2 * t58; in func_pol()
925 t155 = t154 * t60; in func_pol()
965 t224 = t154 * t103; in func_pol()
986 t268 = t154 * t46; in func_pol()
1000 t300 = t154 * t92; in func_pol()
1201 …0] * t683 / 0.1152e4 + t42 * t44 * t50 * t53 / 0.288e3 - t154 * sigma[0] * t270 / 0.288e3 + t154 *… in func_pol()
1572 … t44 * t145 * t53 / 0.54e2 + 0.7e1 / 0.216e3 * t154 * t157 * t1466 - t154 * t1456 * t388 / 0.432e3… in func_pol()
1619 … t44 * t215 * t99 / 0.54e2 + 0.7e1 / 0.216e3 * t154 * t226 * t1528 - t154 * t1518 * t544 / 0.432e3… in func_pol()
1629 … / 0.384e3 - t368 * t1561 * t831 / 0.9216e4 - t154 * t270 / 0.192e3 + t154 * t1561 * t388 / 0.1536… in func_pol()
[all …]
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| H A D | gga_k_tflw.c | 302 double t151, t152, t153, t154, t156, t157, t158, t160; in func_pol() local
524 t154 = t78 * t78; in func_pol()
525 t156 = t153 * t77 * t154; in func_pol()
695 t347 = t154 * t78; in func_pol()
698 t352 = t153 * t158 * t154; in func_pol()
723 t395 = t93 * t154; in func_pol()
754 t455 = t204 * t154; in func_pol()
858 t629 = t110 * t154; in func_pol()
1012 t837 = t154 * t154; in func_pol()
1014 t845 = t153 * t357 * t154; in func_pol()
[all …]
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| H A D | gga_x_2d_pbe.c | 354 double t151, t152, t153, t154, t156, t157, t159, t160; in func_pol() local
603 t154 = t66 * t66; in func_pol()
604 t156 = t153 * t38 * t154; in func_pol()
764 t333 = t154 * t66; in func_pol()
766 t337 = t153 * t70 * t154; in func_pol()
844 t446 = t204 * t154; in func_pol()
882 t493 = t190 * t154; in func_pol()
1025 t712 = t101 * t154; in func_pol()
1196 t924 = t154 * t154; in func_pol()
1199 t934 = t153 * t165 * t154; in func_pol()
[all …]
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| H A D | gga_k_pw86.c | 703 t154 = t17 * t153; in func_pol()
711 t173 = t147 * t154 * t171; in func_pol()
803 t315 = t126 * t154 * t313; in func_pol()
822 t340 = t126 * t154 * t338; in func_pol()
837 t371 = t147 * t154 * t369; in func_pol()
855 t400 = t147 * t154 * t199; in func_pol()
1018 t653 = t126 * t154 * t651; in func_pol()
1036 t685 = t263 * t154 * t683; in func_pol()
1046 t711 = t126 * t154 * t709; in func_pol()
1094 t817 = t263 * t154 * t815; in func_pol()
[all …]
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| H A D | gga_k_exp4.c | 460 double t149, t150, t154, t155, t163, t166, t174; in func_pol() local
657 t154 = t17 * t8 * t2; in func_pol()
661 vsigma[0] = 0.3e1 / 0.10e2 * t154 * t155 * t163; in func_pol()
669 vsigma[2] = 0.3e1 / 0.10e2 * t154 * t166 * t174; in func_pol()
782 t357 = t154 * t5; in func_pol()
815 v2rhosigma[5] = t385 / 0.2e1 + t357 * t394 / 0.2e1 + 0.3e1 / 0.10e2 * t154 * t416; in func_pol()
822 v2sigma2[0] = 0.3e1 / 0.10e2 * t154 * t433; in func_pol()
841 v2sigma2[5] = 0.3e1 / 0.10e2 * t154 * t449; in func_pol()
1112 v3rhosigma2[0] = t984 / 0.2e1 + t357 * t987 / 0.2e1 + 0.3e1 / 0.10e2 * t154 * t1011; in func_pol()
1161 v3sigma3[0] = 0.3e1 / 0.10e2 * t154 * t1062; in func_pol()
[all …]
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i0303AB.cc | 157 double t154; in i0303eAB() local
775 t154=t12*t152; in i0303eAB()
1667 t47=t154+t7; in i0303eAB()
1813 t148=t1*t154; in i0303eAB()
1883 t263=t9*t154; in i0303eAB()
2247 t282=t4*t154; in i0303eAB()
2280 t154=t1*t49; in i0303eAB()
2313 t67=t154+t14; in i0303eAB()
2316 t154=t27*t14; in i0303eAB()
2334 t154=t6*t283; in i0303eAB()
[all …]
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| H A D | i2312.cc | 157 double t154; in i2312() local
715 t154=t150+t153; in i2312()
717 t150=t144*t154; in i2312()
722 t154=t152+t150; in i2312()
727 t156=t155+t154; in i2312()
728 t154=t137*t86; in i2312()
735 t154=t137*t50; in i2312()
736 t156=t4+t154; in i2312()
737 t154=t144*t52; in i2312()
739 t154=t16*t157; in i2312()
[all …]
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| H A D | i2323AB.cc | 157 double t154; in i2323eAB() local
699 t154=t112+t149; in i2323eAB()
708 t157=t117+t154; in i2323eAB()
710 t154=t12*t152; in i2323eAB()
711 t158=t154+t117; in i2323eAB()
1576 t47=t154+t7; in i2323eAB()
1723 t154=t4*t49; in i2323eAB()
1725 t154=t27*t159; in i2323eAB()
1727 t154=t1*t103; in i2323eAB()
2032 t42=t154+t99; in i2323eAB()
[all …]
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| H A D | i3312.cc | 157 double t154; in i3312() local
701 t154=t150+t153; in i3312()
702 t150=t144*t154; in i3312()
707 t154=t152+t150; in i3312()
712 t156=t155+t154; in i3312()
713 t154=t137*t86; in i3312()
719 t154=t137*t50; in i3312()
720 t156=t4+t154; in i3312()
721 t154=t144*t52; in i3312()
723 t154=t16*t157; in i3312()
[all …]
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| H A D | i0312.cc | 157 double t154; in i0312() local
683 t154=t36*t40; in i0312()
684 t40=t154+t152; in i0312()
933 t18=t154+t4; in i0312()
1307 t154=t152+t96; in i0312()
1308 t96=t7*t154; in i0312()
1322 t8=t146*t154; in i0312()
1327 t96=t139*t154; in i0312()
1478 t10=t36*t154; in i0312()
1482 t4=t79*t154; in i0312()
[all …]
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| H A D | i1312.cc | 157 double t154; in i1312() local
672 t154=t36*t40; in i1312()
673 t40=t154+t152; in i1312()
922 t18=t154+t4; in i1312()
1294 t154=t152+t96; in i1312()
1295 t96=t7*t154; in i1312()
1309 t8=t146*t154; in i1312()
1314 t96=t139*t154; in i1312()
1465 t10=t36*t154; in i1312()
1469 t4=t79*t154; in i1312()
[all …]
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| H A D | i0333AB.cc | 157 double t154; in i0333eAB() local
648 t154=t112+t149; in i0333eAB()
658 t157=t117+t154; in i0333eAB()
660 t154=t12*t152; in i0333eAB()
661 t158=t154+t117; in i0333eAB()
1212 t104=t159+t154; in i0333eAB()
1545 t47=t154+t7; in i0333eAB()
1768 t154=t64*t80; in i0333eAB()
1769 t80=t130+t154; in i0333eAB()
1783 t154=t30*t158; in i0333eAB()
[all …]
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| H A D | i1302.cc | 157 double t154; in i1302() local
685 t154=t36*t42; in i1302()
686 t42=t154+t152; in i1302()
940 t18=t154+t4; in i1302()
1262 t154=t9+t113; in i1302()
1263 t9=t139*t154; in i1302()
1267 t154=t29+t9; in i1302()
1269 t29=t9+t154; in i1302()
1281 t154=t2*t14; in i1302()
1282 t156=t154+t10; in i1302()
[all …]
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| H A D | i0302.cc | 157 double t154; in i0302() local
696 t154=t36*t42; in i0302()
697 t42=t154+t152; in i0302()
951 t18=t154+t4; in i0302()
1274 t154=t9+t113; in i0302()
1275 t9=t139*t154; in i0302()
1279 t154=t29+t9; in i0302()
1281 t29=t9+t154; in i0302()
1293 t154=t2*t14; in i0302()
1294 t156=t154+t10; in i0302()
[all …]
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-b97-d.c | 724 t154 = 1/t134; in b97_d_second()
969 t1*t2*t4*t154*t159*t160*t132)-2.0*t154*t143*t249*t136*t251* in b97_d_second()
1313 t154 = 1/t134; in b97_d_third()
2146 rhob-6.0*t154*t143*t295*t159*t136*t292*rhob+6.0*t154*t143* in b97_d_third()
2149 t154*t143*t449*t136*t160*rhob+3.0*t154*t153*t295*t136*t160* in b97_d_third()
2160 3.0*t154*t143*t295*t136*t160+6.0*t154*t153*t159*t136*t160- in b97_d_third()
2642 t154 = 1/t134; in b97_d_fourth()
3966 t136*t291*rhob+1.0*t154*t143*t514*t136*t160*rhob+3.0*t154* in b97_d_fourth()
4812 rhob+6.0*t154*t748*t136*t292*rhob+8.0*t154*t514*t159*t136* in b97_d_fourth()
4923 1.0*t154*t143*t750*t136*t160*rhob+4.0*t154*t153*t514*t136* in b97_d_fourth()
[all …]
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| H A D | fun-pw92c.c | 1926 t379 = pow(t154, in pw92c_third()
2029 t424 = t5*t12*t27*t154*t33; in pw92c_third()
2311 t5*t101*t90*t154*t33; in pw92c_third()
2317 t5*t12*t90*t154*t107*t33; in pw92c_third()
2662 t3*t33*t5+0.5*t107*t12*t154*t27*t3*t33*t5+0.5*t101*t154*t27* in pw92c_third()
3210 t194*t33+t3*t5*t152*t90*t154*t33+t3*t5*t12*t27*t287*t154*t33+ in pw92c_third()
3211 t3*t5*t286*t27*t154*t33+t3*t5*t12*t194*t154*t33+t3*t5*t152* in pw92c_third()
3290 t286*t27*t33+grada*t5*t12*t90*t154*t33+grada*t5*t101*t27*t154* in pw92c_third()
3369 t154*t33+gradb*t5*t101*t27*t154*t33+gradb*t5*t12*t90*t107* in pw92c_third()
3668 t5+1.5*t154*t27*t3*t33*t370*t5+0.5*t12*pow(t154,3.0)*t27*t3* in pw92c_third()
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_vwn2.F | 1160 t154 = 3.262020733413577d-1*t147*t64+t153+2.4465155500601823
1164 2 145*t15*t9-1.0d+0*t10*t15*t154*t72+2.0d+0*t10*t15*t151*t1
1171 1 862224d-1*t15*t159*t75-6.203504908994001d-1*t15*t154*t17*
2713 t262 = 9.690227711544375d-4*t13*t15*t154*t69*t73
2715 t264 = 5.011795824473985d-2*t13*t15*t154*t75*t77
3356 t154 = 1/rhoa**3.0d+0
3532 7 t154*t183*t184*t54-4.7062486515309376d-4*t123*t154*t181*t
3604 ? 325d-1*t114*t154*t171*t54-1.0606128115063691d+1*t154*t169
3908 t154 = 1/rhob**3.0d+0
4084 7 t154*t183*t184*t54-4.7062486515309376d-4*t123*t154*t181*t
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_vwn2.F | 1160 t154 = 3.262020733413577d-1*t147*t64+t153+2.4465155500601823
1164 2 145*t15*t9-1.0d+0*t10*t15*t154*t72+2.0d+0*t10*t15*t151*t1
1171 1 862224d-1*t15*t159*t75-6.203504908994001d-1*t15*t154*t17*
2713 t262 = 9.690227711544375d-4*t13*t15*t154*t69*t73
2715 t264 = 5.011795824473985d-2*t13*t15*t154*t75*t77
3356 t154 = 1/rhoa**3.0d+0
3532 7 t154*t183*t184*t54-4.7062486515309376d-4*t123*t154*t181*t
3604 ? 325d-1*t114*t154*t171*t54-1.0606128115063691d+1*t154*t169
3908 t154 = 1/rhob**3.0d+0
4084 7 t154*t183*t184*t54-4.7062486515309376d-4*t123*t154*t181*t
[all …]
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| /dports/science/ergo/ergo-3.8/source/dft/ |
| H A D | fun-pw92c.c | 1922 t379 = POW(t154, in pw92c_third()
2025 t424 = t5*t12*t27*t154*t33; in pw92c_third()
2307 t5*t101*t90*t154*t33; in pw92c_third()
2313 t5*t12*t90*t154*t107*t33; in pw92c_third()
2658 t3*t33*t5+0.5*t107*t12*t154*t27*t3*t33*t5+0.5*t101*t154*t27* in pw92c_third()
3206 t194*t33+t3*t5*t152*t90*t154*t33+t3*t5*t12*t27*t287*t154*t33+ in pw92c_third()
3207 t3*t5*t286*t27*t154*t33+t3*t5*t12*t194*t154*t33+t3*t5*t152* in pw92c_third()
3286 t286*t27*t33+grada*t5*t12*t90*t154*t33+grada*t5*t101*t27*t154* in pw92c_third()
3365 t154*t33+gradb*t5*t101*t27*t154*t33+gradb*t5*t12*t90*t107* in pw92c_third()
3664 t5+1.5*t154*t27*t3*t33*t370*t5+0.5*t12*POW(t154,3.0)*t27*t3* in pw92c_third()
[all …]
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