/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
H A D | xc_xbecke88_lr_adiabatic.F | 389 t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & local 2623 t6078 = 0.1111111112e0_dp*t719*t1782 2628 *t6075 - t6078 2822 *t6075 - t6078 3168 t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & local 5399 t6078 = 0.1111111112e0_dp*t719*t1782 5404 *t6075 - t6078 5598 *t6075 - t6078
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/dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
H A D | xc_xbecke88_lr_adiabatic.F | 389 t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & local 2623 t6078 = 0.1111111112e0_dp*t719*t1782 2628 *t6075 - t6078 2822 *t6075 - t6078 3168 t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & local 5399 t6078 = 0.1111111112e0_dp*t719*t1782 5404 *t6075 - t6078 5598 *t6075 - t6078
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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_c_regtpss.c | 2569 double t6078, t6079, t6081, t6082, t6083, t6084, t6088, t6090; in func_pol() local 6222 t6078 = 0.86748650402413918736e-1 * t1992; in func_pol() 6224 …t6070 - t6071 + t6072 + 0.144e3 * t1977 + t6074 - t6075 + t6076 - t6077 - t6078 - t6079 + 0.72e2 *… in func_pol() 6807 t7938 = -t7934 - t6071 - t1978 - t7935 + t7936 - t6077 - t6078 - t6079 + t4095 - t7937 + t4096; in func_pol() 7380 …t9932 = 0.12e2 * t3425 - t6078 - t6079 + 0.70178683471615754484e1 * t2737 - 0.14649157844805236044… in func_pol() 7830 …t12095 = 0.18e2 * t3425 - t6078 - t6079 + 0.10526802520742363173e2 * t2737 - t7937 + 0.21973736767… in func_pol() 8073 …t13591 = -t6074 - t6075 - t6076 + 0.4e1 * t4094 - t6077 - t6078 - t6079 + 0.14035736694323150897e2… in func_pol()
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H A D | gga_c_zpbeint.c | 2116 double t6078, t6080, t6081, t6082, t6083, t6087, t6090, t6091; in func_pol() local 6099 t6078 = 0.23392894490538584828e1 * t6077; in func_pol() 6115 …t6130 = -t6036 + t6038 - t6072 + t6076 - t6078 - t6081 - t6083 + t6087 + t6090 - t6092 - t6095 + t… in func_pol() 6286 … 0.12e2 * t2337 * t2364 + t5767 + t6032 - t6036 + t6038 - t6072 + t6076 - t6078 - t6081 - t6083 + … in func_pol()
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H A D | gga_c_bmk.c | 1566 double t6078, t6079, t6083, t6087, t6088, t6093, t6094, t6101; in func_pol() local 4670 …t6078 = -0.23040000000000000000e-5 * t846 * t6032 + 0.11520000000000000000e-5 * t4301 * t6032 - 0.… in func_pol() 4680 t6122 = t6078 + t6121; in func_pol()
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H A D | gga_x_gg99.c | 190 double t6019, t6069, t6078, t6108, t6125, t6168, t6212, t6229; in func_unpol() local 1535 t6078 = t785 * t432; in func_unpol() 1537 …t6078 * t191 / 0.9e1 + 0.2e1 * t640 * t4454 * t642 * t607 + 0.8e1 / 0.27e2 * t1657 * t1807 - 0.2e1… in func_unpol()
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H A D | gga_c_pbeloc.c | 2173 double t6076, t6077, t6078, t6081, t6085, t6086, t6091, t6092; in func_pol() local 5833 t6078 = t4257 * t6077; in func_pol() 5845 …t155 + t6074 * t155 + t5601 + t5954 - t5962 + 0.16449340668482264365e-1 * t6078 - t1092 * t1672 - … in func_pol() 5870 …t6182 = 0.65797362673929057460e-1 * t6078 + 0.2e1 * t993 * t1691 - t5868 - 0.2e1 * t5100 * t483 + … in func_pol()
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H A D | gga_c_sogga11.c | 3144 double t6056, t6057, t6064, t6065, t6078, t6091, t6092, t6100; in func_pol() local 6892 …t6078 = -0.72917445907839251214e-5 * t5933 + 0.21875233772351775364e-4 * t5935 - 0.109376168861758… in func_pol() 6894 t6092 = t6078 + t6091; in func_pol()
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H A D | gga_c_sg4.c | 2860 double t6072, t6074, t6075, t6077, t6078, t6080, t6081, t6082; in func_pol() local 7655 t6078 = t3018 * t1559; in func_pol() 7664 …53328581e-2 * t6072 + 0.75990887731753328581e-2 * t6075 - t6077 + 0.3e1 * t6078 - t6081 + 0.759908… in func_pol() 11558 t19104 = 0.6e1 * t6078; in func_pol()
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H A D | gga_c_acggap.c | 4210 double t6064, t6065, t6069, t6071, t6073, t6075, t6078, t6079; in func_pol() local 9140 t6078 = t4228 * t1703; in func_pol() 9141 t6079 = t1150 * t6078; in func_pol() 14312 …-3 * t1149 * t18171 * t1704 - 0.17149607247227894789e-2 * t1149 * t4832 * t6078 + 0.13719685797782… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_c_pk09.c | 2574 double t6065, t6066, t6072, t6076, t6078, t6086, t6090, t6092; in func_pol() local 5383 t6078 = t1324 * t5114; in func_pol() 5391 …t6103 = 0.12992782516386767778e2 * t6078 + 0.27433775686566395222e-1 * t1304 * t1409 * t1315 * t54… in func_pol() 6416 … * t6072 + 0.80917206506477594443e0 * t10284 + 0.64963912581933838890e1 * t6078 + 0.41150663529849… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_c_m05.c | 3273 double t6073, t6074, t6076, t6078, t6079, t6081, t6082, t6084; in func_pol() local 7366 t6078 = t309 * t2195; in func_pol() 7367 t6079 = t6078 * t361; in func_pol() 11404 … - 0.38863375000000000000e-2 * t17694 * t421 - 0.20000000000000000000e1 * t6078 * t1071 + 0.100000… in func_pol() 12269 …2 + 0.32163958997385070134e2 * t6132 * t7812 + 0.12500000000000000000e0 * t6078 * t2439 + 0.194316… in func_pol() 12271 … - 0.62500000000000000001e-1 * t6184 * t2439 - 0.10000000000000000000e1 * t6078 * t2382 - 0.100000… in func_pol()
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H A D | hyb_mgga_x_js18.c | 8712 double t6078, t6079, t6082, t6086, t6092, t6093, t6094, t6098; in func_pol() local 12328 t6078 = 0.1e1 / t6077; in func_pol() 12329 t6079 = t6078 * t581; in func_pol() 15630 t18319 = t6078 * t1881; in func_pol() 16723 t22694 = t154 * t6078; in func_pol() 16724 t22697 = t112 * t6078; in func_pol() 21366 t54836 = t6078 * t7573; in func_pol() 22922 …t68194 = -0.14e2 / 0.27e2 * t53944 * t1425 - 0.72676204058813440717e-5 * t568 * t6078 * t581 + 0.1… in func_pol() 22924 …83386341e-3 * t6076 * t54606 * t1372 - 0.10470113939449452090e-4 * t621 * t6078 * t581 + 0.3070396… in func_pol() 22925 …+ 0.98e2 / 0.135e3 * t13738 * t5988 - 0.35179582836550159022e-4 * t6076 * t6078 * t41107 * t506 - … in func_pol() [all …]
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H A D | mgga_x_tm.c | 4268 double t6058, t6061, t6068, t6073, t6076, t6077, t6078, t6079; in func_pol() local 7036 t6078 = 0.54e2 * t6077; in func_pol() 7050 …t6130 = 0.108e3 * t4305 * t1808 + 0.108e3 * t4322 * t1808 + 0.108e3 * t1209 * t6073 + t6078 - 0.64… in func_pol() 8949 …t16781 - 0.24e2 * t3388 * t5971 - 0.24e2 * t3406 * t5971 - 0.24e2 * t1217 * t16788 + t6078 - t6087; in func_pol() 9694 …11 - 0.7776e4 * t3403 * t20401 + 0.162e3 * t3801 * t5682 + 0.972e3 * t4322 * t6091 - t6051 + t6078; in func_pol()
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H A D | mgga_x_revtm.c | 4818 double t6051, t6054, t6057, t6058, t6073, t6077, t6078, t6080; in func_pol() local 7514 t6078 = t129 * t6077; in func_pol() 7517 …t6086 = 0.4e1 * t661 * t1634 + 0.36e2 * t6051 + 0.18e2 * t6054 + 0.2e1 * t6073 + 0.2e1 * t6078 + 0… in func_pol() 9577 t16594 = t6078 * t362; in func_pol() 10291 t20745 = t6078 * t540; in func_pol()
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H A D | mgga_c_bc95.c | 2433 double t6073, t6074, t6076, t6078, t6080, t6082, t6083, t6084; in func_pol() local 6697 t6078 = t4014 * t1853; in func_pol() 6722 …4444444e-2 * t6074 + 0.10795381944444444444e-2 * t6076 - 0.16e2 / 0.3e1 * t6078 - 0.16e2 / 0.3e1 *… in func_pol() 10114 t19620 = 0.32e2 / 0.3e1 * t6078; in func_pol()
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H A D | mgga_x_br89_explicit.c | 271 double t6076, t6078, t6079, t6081, t6082, t6084, t6085, t6090; in func_unpol() local 2825 t6078 = t450 * t6048; in func_unpol() 2826 t6079 = t6078 * t1069; in func_unpol() 5288 t20772 = t6078 * t20730; in func_unpol() 5571 t23183 = t6078 * params->gamma; in func_unpol() 14001 double t6074, t6075, t6078, t6081, t6086, t6090, t6093, t6094; in func_pol() local 19279 t6078 = t4823 * t515; in func_pol() 19287 … * t499 - t156 * t6075 - t508 * t1233 - 0.67054173376914933686e0 * t361 * t6078 - 0.67054173376914… in func_pol() 21672 …t10393 = -0.55878477814095778071e-1 * t617 * t6078 + 0.2e1 * t508 * t1988 - 0.33527086688457466843… in func_pol() 22162 … t156 * t11358 + 0.2e1 * t371 * t3070 - 0.33527086688457466843e0 * t751 * t6078 - 0.33527086688457… in func_pol() [all …]
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H A D | mgga_x_m11.c | 3111 double t6073, t6075, t6078, t6081, t6083, t6087, t6091, t6095; in func_pol() local 5688 t6078 = t375 * t1237 * t2598; in func_pol() 5755 …t6330 = 0.16e2 / 0.729e3 * t6075 - 0.4e1 / 0.243e3 * t6078 - 0.8e1 / 0.243e3 * t6081 + 0.8e1 / 0.8… in func_pol() 5920 … 0.27e2 * t375 * t622 * t6838 + 0.4e1 / 0.27e2 * t6327 - 0.4e1 / 0.81e2 * t6078 - 0.8e1 / 0.81e2 *… in func_pol()
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H A D | mgga_x_mggac.c | 12039 double t6071, t6074, t6076, t6077, t6078, t6081, t6085, t6088; in func_ferr() local 15629 t6078 = t1650 * t6077; in func_ferr() 23929 double t6077, t6078, t6079, t6080, t6081, t6082, t6083, t6084; in func_pol() local 32157 t6078 = t5584 * t6077; in func_pol() 32158 t6079 = t5583 * t6078; in func_pol() 32160 t6081 = t5483 * t6078; in func_pol() 43091 t21793 = 0.23e2 / 0.9e1 * t21791 * t6078; in func_pol() 44695 t27354 = t27309 * t6078; in func_pol() 44961 t28145 = t27839 * t6078; in func_pol() 57637 t86797 = 0.23e2 / 0.27e2 * t86795 * t6078; in func_pol() [all …]
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H A D | mgga_x_2d_prhg07.c | 223 double t6072, t6073, t6075, t6076, t6077, t6078, t6079, t6080; in func_unpol() local 1981 t6078 = 0.3e1 / 0.8e1 * t5710; in func_unpol() 1986 …t6085 = -t6075 - t6076 + t5705 - t6077 + t6078 + t6079 - t6080 - t6081 + t6082 - t5682 * t262 / 0.… in func_unpol() 2064 …t6384 = t5705 - t6077 + t6078 + t6079 - t6080 - t6081 + t6082 + 0.3e1 / 0.16e2 * t1079 * t1369 - 0… in func_unpol()
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H A D | mgga_c_tpssloc.c | 4265 double t6061, t6065, t6066, t6071, t6074, t6075, t6078, t6079; in func_pol() local 11747 t6078 = t91 * t6065; in func_pol() 11748 t6079 = t6078 * t232; in func_pol() 18344 t23370 = t6078 * t816; in func_pol() 18443 t23745 = t6078 * t1159; in func_pol() 20412 t28559 = t76 * t6078; in func_pol() 31415 …t91580 = -0.4e1 * t23430 * t467 * t947 + 0.4e1 * t23479 * t76 * t816 + 0.2e1 * t2426 * t6078 * t76… in func_pol() 31571 …e1 * t232 * t76 * t93453 - 0.2e1 * t386 * t467 * t93352 + 0.6e1 * t4248 * t6078 * t76 - 0.2e1 * t8… in func_pol() 37043 t118801 = t6078 * t161; in func_pol() 37162 t119195 = t417 * t6078; in func_pol() [all …]
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H A D | mgga_c_rscan.c | 374 double t6072, t6075, t6076, t6078, t6079, t6081, t6084, t6087; in func_unpol() local 3658 t6078 = t1783 * t4203; in func_unpol() 3659 t6079 = t1556 * t6078; in func_unpol() 6017 t16501 = t4329 * t6078; in func_unpol() 14962 double t6056, t6059, t6062, t6065, t6067, t6074, t6078, t6082; in func_pol() local 26395 t6078 = t1934 * t6067; in func_pol() 26396 … t6065, -0.210e1 * t1907 * t6067 * t306 + 0.105e1 * t759 * t6074 * t306 - 0.1575e1 * t6078 * t306); in func_pol() 36720 …+ t29401 + t29424 + t29449 + t29464 + t29504 + t29544 + t29555, 0.630e1 * t6078 * t3088 - 0.420e1 … in func_pol() 37228 …+ t30442 + t30474 + t30490 + t30514 + t30551 + t30565 + t30566, 0.630e1 * t6078 * t4492 - 0.420e1 … in func_pol() 67494 …045 + 0.2520e2 * t4318 * t134045 - 0.2520e2 * t29565 * t11685 + 0.630e1 * t6078 * t8289 - 0.3150e1… in func_pol() [all …]
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H A D | mgga_c_m06l.c | 5788 double t6068, t6070, t6072, t6073, t6075, t6078, t6081, t6083; in func_pol() local 10648 t6078 = t1788 * t1781; in func_pol() 10653 …3 + 0.30000000000000000000e1 * t1844 * t6075 - 0.17544670867903938621e1 * t6078 + t6083 + 0.155453… in func_pol() 11105 …000000000e-1 * t6722 + 0.2e1 * t5878 + t6059 - 0.11696447245269292414e1 * t6078 + t6083 + t6726 - … in func_pol() 11846 …4 + 0.96491876992155210402e2 * t6267 * t8157 - 0.58482236226346462070e0 * t6078 + t6083 + 0.200000… in func_pol()
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H A D | mgga_x_mbrxh_bg.c | 293 double t6059, t6065, t6067, t6068, t6071, t6072, t6075, t6078; in func_unpol() local 2869 t6078 = t96 * t6051; in func_unpol() 2873 … 0.56e2 / 0.3e1 * t1206 * t6072 - t1212 * t6075 / 0.3e1 - 0.9e1 * t1238 * t6078 - 0.3e1 * t383 * t… in func_unpol() 3191 …/ 0.6e1 - 0.6e1 * t1619 * t1264 - 0.6e1 * t1604 * t1276 - 0.9e1 * t1637 * t6078 - 0.3e1 * t482 * t… in func_unpol() 12028 double t6073, t6074, t6075, t6076, t6077, t6078, t6079, t6080; in func_pol() local 18539 t6078 = t6077 / 0.3e1; in func_pol() 18571 …t6111 = -t6078 - t6080 - t6082 - t6084 + t6086 - t6089 - t6094 - t6096 + t6098 + t6101 + t6103 - t… in func_pol() 26991 …t29778 = t6069 - t6071 + t6073 + t6075 - t6078 - t6080 - t6082 - t6084 + t6086 - t6089 - t6094 - t… in func_pol()
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H A D | mgga_c_pkzb.c | 2808 double t6051, t6054, t6059, t6066, t6077, t6078, t6080, t6083; in func_pol() local 7665 t6078 = t390 * t2581; in func_pol() 7673 …t6102 = -t5432 - t6077 + 0.46308888888888888889e-1 * t6078 - 0.34731666666666666667e-1 * t69 * t60… in func_pol() 8514 …63333333333333332e0 * t5981 - t5432 - t6077 + 0.46308888888888888890e-1 * t6078 + 0.35297250000000… in func_pol()
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