| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_optx.c | 758 t271 = t4 * t270; in func_pol()
761 t275 = t271 * t272 * t273; in func_pol()
896 t494 = t271 * t272 * t492; in func_pol()
970 t620 = t271 * t618 * t273; in func_pol()
974 t625 = t271 * t622 * t623; in func_pol()
983 t639 = t271 * t637 * t273; in func_pol()
985 t643 = t271 * t272 * t641; in func_pol()
1022 t724 = t271 * t272 * t722; in func_pol()
1032 t744 = t271 * t622 * t742; in func_pol()
1066 t823 = t271 * t272 * t821; in func_pol()
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| H A D | gga_x_lg93.c | 625 t272 = t271 * t121; in func_ferr()
705 t490 = t271 * t178; in func_ferr()
780 t900 = t271 * t396; in func_ferr()
1301 t272 = t133 * t271; in func_pol()
1491 t555 = t231 * t271; in func_pol()
1507 t573 = t271 * t271; in func_pol()
1625 t728 = t329 * t271; in func_pol()
1645 t763 = t705 * t271; in func_pol()
1968 t1278 = t508 * t271; in func_pol()
2016 t1381 = t230 * t271; in func_pol()
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| H A D | gga_x_2d_pbe.c | 364 double t271, t272, t275, t278, t281, t282, t283, t284; in func_pol() local
695 t271 = t95 * t26; in func_pol()
698 v2rhosigma[2] = -t270 - 0.33741119762638214744e-2 * t271 * t272; in func_pol()
714 …v2rhosigma[5] = -t270 - 0.33741119762638214744e-2 * t271 * t278 - 0.95197005865596690850e-4 * t100… in func_pol()
1028 … * t707 - t710 - 0.16870559881319107372e-2 * t711 * t712 - 0.33741119762638214744e-2 * t271 * t715; in func_pol()
1052 t753 = t271 * t239; in func_pol()
1105 v3rhosigma2[5] = t813 + 0.47598502932798345426e-4 * t271 * t814; in func_pol()
1128 …v3rhosigma2[11] = t813 + 0.47598502932798345426e-4 * t271 * t820 + 0.20144122341360590538e-5 * t10… in func_pol()
1446 t2147 = t271 * t638; in func_pol()
1486 … + 0.23799251466399172713e-4 * t711 * t296 * t154 + 0.47598502932798345426e-4 * t271 * t296 * t161; in func_pol()
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| H A D | gga_c_scan_e0.c | 275 t271 = 0.1e1 / t124 / t48; in func_unpol()
276 t272 = t271 * sigma[0]; in func_unpol()
396 t534 = t44 * t271; in func_unpol()
2071 t271 = t122 * t5; in func_pol()
2079 t284 = t270 * t271 * t282; in func_pol()
2086 t299 = t297 * t271 * t240; in func_pol()
2126 t368 = t271 * t311; in func_pol()
3222 t2277 = t1414 * t271; in func_pol()
3225 t2282 = t611 * t271; in func_pol()
4675 t5914 = t822 * t271; in func_pol()
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| H A D | gga_x_rge2.c | 494 double t263, t265, t266, t267, t270, t271, t272, t274; in func_pol() local
803 t271 = t16 * t47; in func_pol()
805 t274 = t270 * t271 * t272; in func_pol()
943 t461 = t270 * t271 * t459; in func_pol()
1057 t637 = t270 * t271 * t635; in func_pol()
1060 t643 = t640 * t271 * t641; in func_pol()
1095 t721 = t640 * t271 * t719; in func_pol()
1099 t729 = t270 * t271 * t727; in func_pol()
1147 t830 = t270 * t271 * t828; in func_pol()
1521 …t271 * t321 * t209 / 0.9e1 - 0.71824000000000000000e-1 * t1701 - 0.10773600000000000000e0 * t270 *… in func_pol()
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| H A D | gga_c_op_xalpha.c | 306 double t262, t263, t264, t268, t271, t272, t275, t278; in func_pol() local
546 t271 = t100 * t100; in func_pol()
547 t272 = t158 * t271; in func_pol()
739 t647 = t294 * t271; in func_pol()
755 t691 = t424 * t271; in func_pol()
771 t725 = t271 * t100; in func_pol()
792 t807 = t56 * t568 * t271; in func_pol()
1055 t1531 = t107 * t157 * t271; in func_pol()
1080 …t271 + 0.72277769629629629630e-1 * t126 * t696 + 0.72277769629629629630e-1 * t55 * t56 * t151 * t6… in func_pol()
1144 t2216 = t271 * t271; in func_pol()
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| H A D | gga_x_g96.c | 707 t271 = 0.1e1 / t44; in func_pol()
708 t272 = t271 * sigma[2]; in func_pol()
755 t320 = t271 * t319; in func_pol()
784 t340 = t271 * t339; in func_pol()
977 t634 = t78 * t271; in func_pol()
1129 t874 = t271 * t276; in func_pol()
1162 t906 = t305 * t271; in func_pol()
1238 t964 = t271 * t963; in func_pol()
1395 t1615 = t176 * t271; in func_pol()
1396 t1619 = t182 * t271; in func_pol()
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| H A D | gga_x_c09x.c | 778 t271 = t44 * t79; in func_pol()
779 t273 = t7 * t271 * t113; in func_pol()
809 t317 = t7 * t271 * t130; in func_pol()
972 t570 = t7 * t271 * t276; in func_pol()
1016 t661 = t7 * t271 * t325; in func_pol()
1073 t772 = t7 * t271 * t352; in func_pol()
1074 t775 = t7 * t271 * t356; in func_pol()
1346 t1303 = t7 * t271 * t573; in func_pol()
1383 t1449 = t7 * t271 * t639; in func_pol()
1428 t1718 = t7 * t271 * t761; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_bn05.c | 214 t271 = 0.1e1 / t270; in func_unpol()
215 t272 = t57 * t271; in func_unpol()
304 t479 = t271 * t238; in func_unpol()
567 t271 = t66 * t5 * t211; in func_ferr()
1312 t271 = t24 * t270; in func_pol()
2194 t2336 = t220 * t271 * t709; in func_pol()
2742 t3825 = t220 * t271 * t1435; in func_pol()
3336 t5966 = t220 * t271 * t2245; in func_pol()
3462 t6581 = t220 * t271 * t3060; in func_pol()
3886 t8543 = t220 * t271 * t3765; in func_pol()
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| H A D | lda_x_2d.c | 194 double t268, t269, t271, t274, t276, t277, t283, t299; in func_pol() local
360 t271 = -0.24e2 * t129 + 0.24e2 * t269; in func_pol()
366 …t271 + 0.9e1 / 0.32e2 * t276 * t277 - 0.9e1 / 0.8e1 * t135 * t63 * t66 + 0.9e1 / 0.8e1 * t62 * t28… in func_pol()
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| H A D | lda_c_vwn_4.c | 228 t271 = t134 * t50; in func_unpol()
229 t272 = t58 * t271; in func_unpol()
575 t271 = t134 * t50; in func_ferr()
576 t272 = t58 * t271; in func_ferr()
1074 t271 = t101 * t215; in func_pol()
1075 t272 = t100 * t271; in func_pol()
1106 t305 = t263 * t271; in func_pol()
1110 t309 = t265 * t271; in func_pol()
1316 t706 = t291 * t271; in func_pol()
1526 t1130 = t548 * t271; in func_pol()
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| H A D | lda_c_vwn.c | 228 t271 = t134 * t50; in func_unpol()
229 t272 = t58 * t271; in func_unpol()
575 t271 = t134 * t50; in func_ferr()
576 t272 = t58 * t271; in func_ferr()
1074 t271 = t101 * t215; in func_pol()
1075 t272 = t100 * t271; in func_pol()
1106 t305 = t263 * t271; in func_pol()
1110 t309 = t265 * t271; in func_pol()
1316 t706 = t291 * t271; in func_pol()
1518 t1094 = t548 * t271; in func_pol()
[all …]
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| H A D | lda_x_sloc.c | 240 double t252, t253, t259, t265, t267, t268, t269, t271; in func_pol() local
439 t271 = t62 * t38; in func_pol()
449 …t308 = t22 * t280 * t27 + t30 * t299 * t32 + t150 * t269 + t172 * t290 + 0.4e1 * t271 * t215 - 0.4… in func_pol()
545 …8e1 * t471 * t472 * t70 - 0.8e1 * t500 * t501 * t70 - 0.12e2 * t271 * t529 - 0.24e2 * t271 * t620 … in func_pol()
583 … t116 + 0.3e1 * t500 * t501 * t123 + 0.6e1 * t150 * t112 * t478 - 0.9e1 * t271 * t153 * t116 * t26… in func_pol()
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| H A D | lda_x_rel.c | 370 double t268, t269, t271, t275, t276, t279, t282, t285; in func_pol() local
571 t271 = 0.6e1 * t132 - 0.6e1 * t269; in func_pol()
575 t282 = -t271; in func_pol()
576 …t285 = -0.8e1 / 0.27e2 * t260 * t261 + 0.4e1 / 0.3e1 * t264 * t135 + 0.4e1 / 0.3e1 * t15 * t271 - … in func_pol()
683 …260 * t128 * t135 + 0.4e1 / 0.3e1 * t127 * t586 + 0.16e2 / 0.9e1 * t264 * t271 + 0.4e1 / 0.3e1 * t… in func_pol()
706 … * t343 * t268 * t68 + 0.8e1 * t356 * t268 * t70 + 0.4e1 / 0.9e1 * t191 * t271 - 0.16e2 * t15 * t2… in func_pol()
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| H A D | lda_c_vwn_1.c | 45 double t249, t250, t253, t260, t266, t267, t269, t271; in func_unpol() local
227 t271 = t134 * t50; in func_unpol()
228 t272 = t58 * t271; in func_unpol()
310 …t462 = 0.10363566666666666667e-1 * t266 * t135 + 0.20727133333333333334e-1 * t130 * t271 - 0.69090… in func_unpol()
391 double t249, t250, t253, t260, t266, t267, t269, t271; in func_ferr() local
573 t271 = t134 * t50; in func_ferr()
574 t272 = t58 * t271; in func_ferr()
736 double t250, t252, t253, t258, t267, t269, t270, t271; in func_pol() local
961 t271 = t270 * t3; in func_pol()
978 …94233369026905e-1 * t106 * t86 * t201 * t109 - 0.50167127350538589834e0 * t271 * t202 * t273 + 0.9… in func_pol()
[all …]
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| H A D | lda_c_vwn_rpa.c | 45 double t249, t250, t253, t260, t266, t267, t269, t271; in func_unpol() local
227 t271 = t134 * t50; in func_unpol()
228 t272 = t58 * t271; in func_unpol()
310 …t462 = 0.10363566666666666667e-1 * t266 * t135 + 0.20727133333333333334e-1 * t130 * t271 - 0.69090… in func_unpol()
391 double t249, t250, t253, t260, t266, t267, t269, t271; in func_ferr() local
573 t271 = t134 * t50; in func_ferr()
574 t272 = t58 * t271; in func_ferr()
736 double t250, t252, t253, t258, t267, t269, t270, t271; in func_pol() local
961 t271 = t270 * t3; in func_pol()
978 …17769075897299e0 * t106 * t86 * t201 * t109 - 0.10320064155614252239e-3 * t271 * t202 * t273 + 0.4… in func_pol()
[all …]
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| /dports/science/tinker/tinker/other/ |
| H A D | drotpole.f | 194 real*8 t263,t265,t266,t271 local
359 t271 = 1.0d0 - t6*t240
363 t282 = t271 * t76
571 real*8 t256,t262,t269,t271 local
769 t271 = 2.0d0 * (t174*t255 + t178*t262 + t182*t269)
834 t453 = t162 * t271
835 t458 = t164 * t271
841 t488 = t160 * t271
882 d(1,1,2,3) = t256 - 0.5d0*t191*t271
885 d(2,1,2,3) = t278 - 0.5d0*t274*t271
[all …]
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i0303.cc | 274 double t271; in i0303() local
1317 t269=t6*t271; in i0303()
1419 t61=t43*t271; in i0303()
1477 t271=t159*t66; in i0303()
1479 t271=t272*t68; in i0303()
1481 t271=t9*t284; in i0303()
1819 t23=t271+t281; in i0303()
2239 t271=t13+t26; in i0303()
2261 t281=t8*t271; in i0303()
2279 t26=t29*t271; in i0303()
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| H A D | i0303AB.cc | 274 double t271; in i0303eAB() local
1933 t271=t270+t245; in i0303eAB()
1935 t250=t245+t271; in i0303eAB()
1936 t271=t191*t226; in i0303eAB()
1937 t226=t271+t250; in i0303eAB()
1940 t271=t1*t250; in i0303eAB()
1942 t273=t272+t271; in i0303eAB()
1944 t255=t271+t273; in i0303eAB()
1994 t8=t271+t47; in i0303eAB()
2119 t271=t109+t270; in i0303eAB()
[all …]
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| H A D | i0313AB.cc | 274 double t271; in i0313eAB() local
1920 t271=t270+t245; in i0313eAB()
1922 t250=t245+t271; in i0313eAB()
1923 t271=t191*t226; in i0313eAB()
1924 t226=t271+t250; in i0313eAB()
1927 t271=t1*t250; in i0313eAB()
1929 t273=t272+t271; in i0313eAB()
1931 t255=t271+t273; in i0313eAB()
1981 t8=t271+t47; in i0313eAB()
2106 t271=t109+t270; in i0313eAB()
[all …]
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| H A D | i1313AB.cc | 274 double t271; in i1313eAB() local
1920 t271=t270+t245; in i1313eAB()
1922 t250=t245+t271; in i1313eAB()
1923 t271=t191*t226; in i1313eAB()
1924 t226=t271+t250; in i1313eAB()
1927 t271=t1*t250; in i1313eAB()
1929 t273=t272+t271; in i1313eAB()
1931 t255=t271+t273; in i1313eAB()
1981 t8=t271+t47; in i1313eAB()
2106 t271=t109+t270; in i1313eAB()
[all …]
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-1-4.c | 602 real t267, t268, t269, t270, t271, t272, t273; in f14_second() local
968 t271 = 1/pow(rhoa,17.0); in f14_second()
1252 real t267, t268, t269, t270, t271, t272, t273; in f14_third() local
1675 t293 = t84*t86*t87*t271*t102; in f14_third()
2714 real t267, t268, t269, t270, t271, t272, t273; in f14_fourth() local
3180 t293 = t84*t86*t87*t271*t102; in f14_fourth()
3552 t87+12.0*t102*t129*t271*t84*t87-12.0*t102*t127*t271*t84*t86+ in f14_fourth()
4534 t89*t271*t96+0.00585969761176101*t84*t1*t2*t4*t243*t88*t271* in f14_fourth()
4691 t89*t271*t96+.002929848805880505*t84*t1*t2*t4*t243*t88*t271* in f14_fourth()
4770 t89*t271*t111*t112*t113-1.754467019236561*t84*t130*t89*t271* in f14_fourth()
[all …]
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| H A D | fun-b97-d.c | 1755 t416 = 2.0*t271*t70*t72*t73*t88; in b97_d_third()
1777 t428 = 2.0*t121*t271*t70*t72*t73; in b97_d_third()
1779 t430 = -8.0*t113*t271*t70*t72*t88; in b97_d_third()
3162 t70*t74*t75*t271*t82; in b97_d_fourth()
3166 t457 = 2.0*t271*t70*t72*t73*t88; in b97_d_fourth()
3191 t472 = 2.0*t121*t271*t70*t72*t73; in b97_d_fourth()
3752 t700 = 6.0*t121*t271*t70*t72*t73; in b97_d_fourth()
3798 t723 = 3.0*t258*t271*t70*t72*t73; in b97_d_fourth()
4345 t167*t75*t271*t97*t98*t99-2.339289358982082*t70*t116*t75*t271* in b97_d_fourth()
4414 t74*t271*t82-.002929848805880505*t70*t1*t2*t4*t91*t167*t271* in b97_d_fourth()
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_long_range.F | 283 t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & local
461 t271 = t28*t270
463 t284 = 0.2250000000e1_dp*t271*t31*t212 - 0.1000000000e1_dp*t105* &
520 t417 = t271*t26
591 *t177*t271*t1*t501 - 0.3000000000e1_dp*t177*t105* &
773 0.1500000000e1_dp*t105*t31*t1220 + 0.7500000000e0_dp*t271*t109 &
1234 t271 = t28*t270
1236 t284 = 0.2250000000e1_dp*t271*t31*t212 - 0.1000000000e1_dp*t105* &
1293 t417 = t271*t26
1364 *t177*t271*t1*t501 - 0.3000000000e1_dp*t177*t105* &
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_long_range.F | 283 t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & local
461 t271 = t28*t270
463 t284 = 0.2250000000e1_dp*t271*t31*t212 - 0.1000000000e1_dp*t105* &
520 t417 = t271*t26
591 *t177*t271*t1*t501 - 0.3000000000e1_dp*t177*t105* &
773 0.1500000000e1_dp*t105*t31*t1220 + 0.7500000000e0_dp*t271*t109 &
1234 t271 = t28*t270
1236 t284 = 0.2250000000e1_dp*t271*t31*t212 - 0.1000000000e1_dp*t105* &
1293 t417 = t271*t26
1364 *t177*t271*t1*t501 - 0.3000000000e1_dp*t177*t105* &
[all …]
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