/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_m11_l.c | 5237 t892 = -t492; in func_pol() 5238 t893 = t320 * t892; in func_pol() 5240 t899 = t309 * t892; in func_pol() 5244 t909 = t315 * t892; in func_pol() 5246 t915 = t298 * t892; in func_pol() 5252 t927 = t310 * t892; in func_pol() 5261 t951 = t478 * t892; in func_pol() 5753 t2712 = t892 * t892; in func_pol() 5755 t2717 = t940 * t892; in func_pol() 5767 t2758 = t935 * t892; in func_pol() [all …]
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H A D | mgga_c_m06l.c | 903 t892 = t716 * t294; in func_unpol() 7752 t892 = t128 * t891; in func_pol() 7753 t893 = t892 * t588; in func_pol() 8893 t2918 = t892 * t2701; in func_pol() 8900 t2925 = t892 * t2779; in func_pol() 9438 t3880 = t892 * t3682; in func_pol() 9461 t3926 = t892 * t3632; in func_pol() 9501 t4037 = t892 * t3623; in func_pol() 9745 t4415 = t892 * t4216; in func_pol() 12862 t10158 = t892 * t9165; in func_pol() [all …]
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H A D | hyb_mgga_x_m05.c | 1531 t892 = t63 * t817; in func_ferr() 1532 t893 = t892 * t819; in func_ferr() 1799 t1836 = t892 * t1805; in func_ferr() 2917 t892 = t191 * t336; in func_pol() 2918 t894 = t891 * t892 * t320; in func_pol() 2950 t947 = t347 * t351 * t892; in func_pol() 3576 t2313 = t891 * t892 * t842; in func_pol() 3578 t2317 = t891 * t892 * t850; in func_pol() 3650 t2461 = t891 * t892 * t8; in func_pol() 3705 t2567 = t963 * t969 * t892; in func_pol() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
H A D | mgga_x_tb09.c | 77 double t890, t891, t892, t899, t900, t901, t910, t911; in func_unpol() local 694 t892 = t245 * t891; in func_unpol() 2719 t892 = t876 * t219; in func_ferr() 5061 t892 = t891 * t464; in func_pol() 5063 … t892 * t466 / 0.3e1 - t344 * t470 + 0.2e1 * t892 * t472 + 0.2e1 / 0.3e1 * t892 * t476 - t900 * t1… in func_pol() 5334 …50 - t892 * t1453 / 0.3e1 - t344 * t1303 + 0.2e1 * t892 * t1457 + 0.2e1 / 0.3e1 * t892 * t1461 - t… in func_pol() 5574 …38 - t892 * t1741 / 0.3e1 - t344 * t1596 + 0.2e1 * t892 * t1745 + 0.2e1 / 0.3e1 * t892 * t1749 - t… in func_pol() 7544 t9564 = t892 * t437 * t9562; in func_pol() 7556 t9603 = t892 * t437 * t9601; in func_pol() 7568 t9626 = t892 * t418 * t9601; in func_pol() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_x_1d_exponential.c | 272 double t849, t852, t857, t859, t875, t892, t895, t903; in func_pol() local 685 t892 = 0.2e1 * t398 * t180 * t49 + t346 + t404; in func_pol() 690 …t136 * t892 * t351 + t297 * t903 * t5 * t3 + 0.2e1 * t297 * t345 * t49 * t3 + t912 * t9 + 0.3e1 * … in func_pol()
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H A D | lda_c_vwn.c | 786 double t891, t892, t893, t894, t895, t896, t897, t898; in func_pol() local 1434 t892 = 0.1e1 / t373; in func_pol() 1435 t893 = t511 * t892; in func_pol() 1457 t918 = t613 * t892; in func_pol() 1485 t994 = t595 * t892; in func_pol() 1498 t1036 = t1 * t892 * t6; in func_pol() 1532 t1139 = t421 * t892; in func_pol() 1557 t1197 = t403 * t892; in func_pol() 1565 t1212 = t493 * t892; in func_pol() 1843 t1763 = t892 * t6 * t1037; in func_pol()
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H A D | lda_c_1d_csc.c | 504 double t886, t887, t888, t889, t890, t891, t892, t893; in func_pol() local 968 t892 = 0.24e2 * t418; in func_pol() 975 …t899 = t885 + t886 + t887 - t888 + t889 - t890 - t891 + t892 + t893 - t894 - t895 + t896 - t897 + … in func_pol() 992 t916 = t886 + t887 - t888 + t889 - t890 - t891 + t892 + t893 - t894 - t895 + t896 - t897 + t898; in func_pol()
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H A D | lda_xc_teter93.c | 388 double t886, t889, t892, t895, t904, t906, t914, t915; in func_pol() local 801 …t892 = -0.20524675229611150000e0 * t868 + 0.41049350459222300000e0 * t870 - 0.63854545158790244444… in func_pol() 803 … 0.24e2 * t860 + 0.4e1 * t417 * t128 + 0.6e1 * t209 * t240 + 0.4e1 * t106 * t460 - t2 * t892 * t74; in func_pol()
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H A D | lda_c_ml1.c | 293 double t885, t888, t892, t893, t895, t899, t901, t904; in func_pol() local 1125 t892 = t196 * t196; in func_pol() 1126 t893 = t892 * t323; in func_pol() 1132 …t917 = -0.2e1 / 0.9e1 * t352 * t884 + t98 * t888 / 0.3e1 - 0.2e1 / 0.9e1 * t358 * t892 + t101 * t8… in func_pol() 1873 t2802 = t1190 * t892; in func_pol() 1900 t2874 = t2873 * t892; in func_pol() 2093 t3573 = t892 * t196; in func_pol() 3362 t8655 = t321 * t4017 * t892; in func_pol() 3369 t8682 = t326 * t1098 * t892; in func_pol() 4200 t13546 = t892 * t892; in func_pol() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_c_chachiyo.c | 1352 t892 = t891 * t368; in func_pol() 1353 t893 = t364 * t122 * t892; in func_pol() 1389 t922 = t364 * t138 * t892; in func_pol() 1775 t2209 = t348 * t122 * t892; in func_pol() 1777 t2212 = t364 * t250 * t892; in func_pol() 1810 t2273 = t364 * t214 * t892; in func_pol() 1847 t2320 = t364 * t293 * t892; in func_pol() 1850 t2327 = t348 * t138 * t892; in func_pol() 1863 t2363 = t2331 * t892; in func_pol() 1899 t2399 = t364 * t333 * t892; in func_pol() [all …]
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H A D | hyb_gga_xc_wb97.c | 1817 double t881, t882, t885, t888, t889, t892, t896, t897; in func_pol() local 3487 t892 = t409 * t403; in func_pol() 4236 t2408 = t892 * t896; in func_pol() 6531 t7793 = t892 * t2058; in func_pol() 8524 …-10 * t2050 * t12764 + 0.41472000000000000000e-10 * t892 * t3895 - 0.46656000000000000000e-12 * t8… in func_pol() 8674 …-10 * t2050 * t13165 + 0.41472000000000000000e-10 * t892 * t4136 - 0.46656000000000000000e-12 * t8… in func_pol() 9231 … t870 * t14377 * t392 - 0.60149760000000000000e-8 * t892 * t15458 + 0.83776000000000000000e-7 * t8… in func_pol() 9995 t19304 = t892 * t5042; in func_pol() 11766 …0e-6 * t2050 * t32677 - 0.60149760000000000000e-8 * t892 * t32689 + 0.83776000000000000000e-7 * t8… in func_pol() 12008 … 0.79626240000000000000e-13 * t892 * t35358 - 0.19641600000000000000e-6 * t2050 * t35347 + 0.15713… in func_pol() [all …]
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H A D | gga_x_c09x.c | 543 double t886, t887, t888, t890, t891, t892, t893, t895; in func_pol() local 1127 t892 = -t874; in func_pol() 1128 t893 = t62 * t892; in func_pol() 1448 …1 * t129 * t756 / 0.2e1 + t310 * t690 * t8 * t355 / 0.2e1 - t310 * t311 * t892 * t112 / 0.6e1 - 0.… in func_pol() 1480 …t892 + t7 * t111 * t62 * t2048 / 0.2e1 - 0.2e1 * t7 * t111 * t867 * t129 - 0.3e1 / 0.8e1 * t7 * t4… in func_pol() 1559 …* t129 - 0.3e1 / 0.2e1 * t161 * t425 * t457 * t355 - t161 * t425 * t194 * t892 / 0.2e1 - 0.3e1 / 0… in func_pol()
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H A D | gga_x_herman.c | 344 double t892, t894, t898, t903, t911, t912, t913, t915; in func_pol() local 1018 t892 = t7 * t461 * t47; in func_pol() 1026 …333333334e-1 * t883 * t884 * t58 + 0.5e1 / 0.2e1 * t889 - 0.5e1 / 0.2e1 * t892 - 0.711111111111111… in func_pol() 1075 …109 * t76 + 0.14222222222222222223e-1 * t883 * t478 * t8 - t889 / 0.3e1 + t892 / 0.3e1 + 0.4740740… in func_pol()
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H A D | gga_x_lv_rpw86.c | 67 double t879, t892, t915, t916, t919, t923, t930, t933; in func_unpol() local 407 t892 = t221 * t136 * t101; in func_unpol() 413 …2538e-7 * t257 * t451 * t211 - 0.13976049997010516865e-17 * t219 * t191 * t892 + 0.843839458546219… in func_unpol() 434 …t1112 = 0.69880249985052584326e-18 * t279 * t191 * t892 + 0.38645719865411697354e-6 * t448 * t595 … in func_unpol() 450 …621917035e-13 * t591 * t1044 - 0.19653820308296039342e-18 * t321 * t191 * t892 - 0.938279157948516… in func_unpol() 1013 double t889, t891, t892, t894, t895, t897, t900, t901; in func_pol() local 1650 t892 = 0.5e1 / 0.36e2 * t891; in func_pol() 1695 …t999 = -t858 / 0.2e1 - t863 - t867 - t876 - t880 - t882 / 0.2e1 - t888 - t892 + t895 - 0.3e1 / 0.8… in func_pol() 1750 … - t882 / 0.6e1 - t1096 / 0.2e1 + t1099 / 0.2e1 + t1102 / 0.12e2 - t880 - t892 + t894 / 0.6e1 - t8… in func_pol() 1790 … t1071 - t1080 - t1083 + t828 / 0.9e1 + t848 / 0.9e1 + t1102 / 0.6e1 - t880 - t892 + t894 / 0.12e2; in func_pol() [all …]
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H A D | gga_x_2d_pbe.c | 411 double t884, t889, t892, t893, t898, t901, t903, t907; in func_pol() local 1185 t892 = t2 / t9 / t889; in func_pol() 1198 …t931 = 0.4e1 * t65 * t38 * t861 - 0.3e1 / 0.2e1 * t892 * t22 * t893 + 0.2e1 * t898 + 0.3e1 * t901 … in func_pol() 1262 t1181 = t892 * t12; in func_pol() 1367 …0.15345318693276887098e-5 * t84 * t1741 * t1742 / t1744 - 0.3e1 / 0.2e1 * t892 * t22 * t1749 - 0.6… in func_pol()
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H A D | gga_x_wc.c | 697 double t879, t882, t884, t886, t889, t892, t903, t905; in func_pol() local 1331 t892 = t7 * t337 * t183; in func_pol() 1334 …0.9e1 + 0.7e1 / 0.6e1 * t886 + t889 / 0.9e1 + 0.53868000000000000000e-1 * t892 + 0.107736000000000… in func_pol() 1380 …* t882 - t886 / 0.3e1 + 0.2e1 / 0.9e1 * t889 + 0.10773600000000000000e0 * t892 - t993 / 0.2e1 - t9… in func_pol() 1449 t1133 = 0.16160400000000000000e0 * t892; in func_pol() 1832 …t2370 = 0.2e1 / 0.3e1 * t889 + 0.32320800000000000000e0 * t892 - t993 - t998 + 0.32320800000000000… in func_pol() 1858 …t2589 = -t1083 - t1130 + t879 + t882 - t886 + t889 + 0.48481200000000000000e0 * t892 - 0.3e1 / 0.2… in func_pol() 1883 … 0.4e1 / 0.3e1 * t882 + 0.4e1 / 0.3e1 * t889 + 0.64641600000000000000e0 * t892 + t9 * (t2631 + t27… in func_pol()
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H A D | gga_k_llp.c | 689 double t886, t889, t892, t895, t898, t901, t904, t906; in func_pol() local 1257 t892 = t129 * t820 * t146; in func_pol() 1267 …t921 = t886 / 0.3e1 + 0.2e1 / 0.9e1 * t889 + 0.2e1 / 0.3e1 * t892 + t895 / 0.3e1 + t898 / 0.3e1 + … in func_pol() 1317 …t1034 = t953 + t1016 + 0.2e1 / 0.3e1 * t882 + t886 + 0.2e1 / 0.3e1 * t889 + 0.2e1 * t892 + t895 - … in func_pol() 1656 …t2129 = 0.4e1 / 0.9e1 * t882 + 0.2e1 / 0.3e1 * t886 + 0.4e1 / 0.9e1 * t889 + 0.4e1 / 0.3e1 * t892 … in func_pol() 1679 …79 + 0.4e1 / 0.3e1 * t882 + 0.2e1 * t886 + 0.4e1 / 0.3e1 * t889 + 0.4e1 * t892 + 0.2e1 * t895 + t8… in func_pol() 1700 …15 + 0.8e1 / 0.3e1 * t882 + 0.4e1 * t886 + 0.8e1 / 0.3e1 * t889 + 0.8e1 * t892 + 0.4e1 * t895 - 0.… in func_pol()
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H A D | gga_x_kt.c | 416 double t878, t881, t884, t888, t892, t896; in func_pol() local 1044 t892 = params->gamma * t305 * t122; in func_pol() 1047 …e1 * t340 * t884 + 0.28e2 / 0.9e1 * t137 * t888 + 0.28e2 / 0.9e1 * t137 * t892 + 0.32e2 / 0.9e1 * … in func_pol() 1350 t2142 = t39 * t892; in func_pol()
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H A D | gga_k_apbeint.c | 706 double t877, t879, t881, t883, t886, t888, t892, t895; in func_pol() local 1331 t892 = t333 * t338 * t405; in func_pol() 1362 …t952 = 0.2e1 / 0.9e1 * t892 + t895 / 0.3e1 + t900 / 0.2e1 + t904 / 0.2e1 + 0.2e1 / 0.9e1 * t907 + … in func_pol() 1405 …t1023 = -t991 - t995 + t1000 + t1004 + 0.2e1 / 0.3e1 * t892 + t895 + 0.2e1 / 0.3e1 * t907 + t910 -… in func_pol() 1823 … t2074 + t2104 + t2121 + t2134 + t2145 + t2183 + t2225) + 0.4e1 / 0.9e1 * t892 + 0.2e1 / 0.3e1 * t… in func_pol() 1830 …t2288 = -t991 - t995 + t1000 + t1004 + 0.4e1 / 0.3e1 * t892 + 0.2e1 * t895 + 0.3e1 / 0.2e1 * t900 … in func_pol() 1872 …0 - 0.4e1 / 0.9e1 * t994 + 0.2e1 * t999 + 0.2e1 * t1003 + 0.8e1 / 0.3e1 * t892 + 0.4e1 * t895 + 0.… in func_pol()
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H A D | gga_x_hjs.c | 2863 t892 = t891 * t232; in func_ferr() 6367 t892 = 0.1e1 / t891; in func_pol() 6368 t893 = t465 * t892; in func_pol() 6375 t907 = t474 * t892; in func_pol() 6939 t2282 = t889 * t892; in func_pol() 6952 t2312 = t905 * t892; in func_pol() 7110 t2699 = t1212 * t892; in func_pol() 7174 t2886 = t1199 * t892; in func_pol() 7535 t3983 = t892 * t896; in func_pol() 7631 t4301 = t892 * t1203; in func_pol() [all …]
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H A D | gga_c_op_pbe.c | 1646 t893 = t892 * t885; in func_pol() 1859 t1449 = t892 * t271; in func_pol() 1899 t1560 = t892 * t71; in func_pol() 2641 t3374 = t686 * t892; in func_pol() 2651 t3391 = t263 * t892; in func_pol() 2873 t3898 = t97 * t892; in func_pol() 3146 t5384 = t892 * t105; in func_pol() 3256 t5869 = t1448 * t892; in func_pol() 3360 t6293 = t892 * t149; in func_pol() 3906 t9386 = t2451 * t892; in func_pol() [all …]
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H A D | gga_x_s12.c | 732 double t880, t888, t891, t892, t894, t895, t896, t898; in func_pol() local 1356 t892 = t42 * t891; in func_pol() 1357 t894 = t83 * t84 * t892; in func_pol() 1769 t2108 = t83 * t227 * t892; in func_pol() 1782 …t2265 = -t221 * t84 * t892 * t89 / 0.6e1 + t672 * t84 * t896 * t129 / 0.3e1 + t294 * t327 * t373 *… in func_pol() 1813 …e1 / 0.3e1 * t2192 - 0.2e1 / 0.3e1 * t2199 - 0.2e1 / 0.3e1 * t221 * t84 * t892 * t141 - 0.2e1 * t2… in func_pol()
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H A D | gga_x_lspbe.c | 576 double t884, t885, t886, t888, t889, t890, t892, t893; in func_pol() local 1170 t892 = t94 / t890; in func_pol() 1171 t893 = t892 * t590; in func_pol() 1340 t1165 = t892 * t1144 * t1157 / 0.384e3 - t623 * t593 * t1157 * t69 / 0.2304e4; in func_pol() 1729 …e1 - 0.3e1 / 0.8e1 * t161 * t173 * (t2147 * t2725 * t18 * t53 / 0.864e3 - t892 * t1144 * t1125 / 0… in func_pol()
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
H A D | xc_b97.F | 631 t892, t906, t907, t91, t911, t913, t914, t92, t925, t926, t929, t930, t932, t933, t94, & local 1162 t892 = t133**2 1175 … /t889*t858/t892*t62/0.2e1_dp)*my_rhoa + epsilon_c_unif_arhoa & 1648 t892, t906, t907, t91, t911, t913, t914, t92, t925, t926, t929, t930, t932, t933, t94, & local 2179 t892 = t133**2 2192 … /t889*t858/t892*t62/0.2e1_dp)*my_rhoa + epsilon_c_unif_arhoa &
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/dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
H A D | xc_b97.F | 631 t892, t906, t907, t91, t911, t913, t914, t92, t925, t926, t929, t930, t932, t933, t94, & local 1162 t892 = t133**2 1175 … /t889*t858/t892*t62/0.2e1_dp)*my_rhoa + epsilon_c_unif_arhoa & 1648 t892, t906, t907, t91, t911, t913, t914, t92, t925, t926, t929, t930, t932, t933, t94, & local 2179 t892 = t133**2 2192 … /t889*t858/t892*t62/0.2e1_dp)*my_rhoa + epsilon_c_unif_arhoa &
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