| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_sa_tpss.c | 312 double t7844, t7848, t7860, t7869, t7870, t7899, t7924, t7931; in func_unpol() local
2799 …t7848 = -0.5e1 / 0.81e2 * t825 * t1031 * t6224 + 0.500e3 / 0.6561e4 * t6601 * t7573 + 0.4375e4 / 0… in func_unpol()
2800 …* t6289 * t7521 + 0.2e1 / 0.45e2 * t162 * t165 * (t7545 + t7568 + t7599 + t7848) - t533 * t1117 * … in func_unpol()
4026 double t7801, t7808, t7817, t7820, t7826, t7830, t7836, t7848; in func_ferr() local
6365 t7848 = t141 * t432; in func_ferr()
6366 …9 + 0.25e2 / 0.18e2 * t1779 * t7848 * t1841 + 0.25e2 / 0.81e2 * t1784 * t7848 * t1845 - 0.100e3 / … in func_ferr()
7167 …0.25e2 / 0.41472e5 * t1784 * t7848 * t888 + 0.25e2 / 0.279936e6 * t1792 * t7848 * t2188 - 0.25e2 /… in func_ferr()
7186 …* t1792 * t7848 * t2696 - 0.25e2 / 0.72e2 * t1779 * t7091 * t4594 - 0.25e2 / 0.216e3 * t1784 * t71… in func_ferr()
7235 … t455 * t14745 * t456 + t143 * t14760 * t145 / 0.324e3 + 0.25e2 / 0.2592e4 * t1784 * t7848 * t1068; in func_ferr()
7257 … - 0.25e2 / 0.216e3 * t1784 * t7848 * t4598 + 0.25e2 / 0.648e3 * t1792 * t7830 * t4584 + 0.25e2 / … in func_ferr()
[all …]
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| H A D | mgga_x_m08.c | 2886 double t7841, t7848, t7852, t7855, t7858, t7859, t7860, t7870; in func_pol() local
5502 t7848 = t8 * t1290 * t459; in func_pol()
5508 …838 - t7841 / 0.2e1 - t8 * t266 * t3285 * t458 / 0.2e1 - 0.5e1 / 0.27e2 * t7848 - 0.25e2 / 0.6e1 *… in func_pol()
5542 ….9e1 * t7828 + 0.41e2 / 0.9e1 * t7838 - t7841 / 0.3e1 - 0.10e2 / 0.27e2 * t7848 - 0.41e2 / 0.9e1 *… in func_pol()
5567 …/ 0.2e1 - 0.5e1 / 0.9e1 * t7813 + t7829 - t7838 / 0.3e1 - 0.5e1 / 0.9e1 * t7848 + t7852 / 0.3e1 + … in func_pol()
5672 …387 * t1299 * t1334 * t1343 - 0.20e2 / 0.27e2 * t7813 - 0.20e2 / 0.27e2 * t7848 + 0.2e1 / 0.3e1 * … in func_pol()
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| H A D | hyb_mgga_x_js18.c | 4487 double t7823, t7842, t7847, t7848, t7857, t7858, t7863, t7871; in func_ferr() local
6815 t7848 = my_piecewise3(t66, 0, t7847); in func_ferr()
6824 t7893 = t7848 * t76; in func_ferr()
6843 …t7848 + 0.26943e5 * t131 * t7848 - 0.35389440e8 * t2845 * t2564 + 0.6144e4 * t320 * t2564 - 0.4608… in func_ferr()
6845 t8020 = t67 * t7848; in func_ferr()
6849 t8029 = t118 * t7848; in func_ferr()
6850 …t8041 = 0.30720e5 * t120 * t7848 + 0.614400e6 * t360 * t2564 + 0.1843200e7 * t73 * t7878 + 0.46080… in func_ferr()
6856 …t289 - 0.2880e4 * t7879 * t295 + 0.864e3 * t3554 * t839 + 0.72e2 * t371 * t7848 + 0.432e3 * t983 *… in func_ferr()
6863 t8159 = t69 * t7848 * t76; in func_ferr()
6871 …t7848 - t8159 + t7898 * t7878 * t76 / 0.16e2 - 0.12e2 * t7871 * t77 - 0.16e2 * t1375 * t2564 + 0.8… in func_ferr()
[all …]
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| H A D | mgga_c_m05.c | 3394 double t7828, t7832, t7833, t7834, t7835, t7839, t7847, t7848; in func_pol() local
8359 t7848 = t7847 * t366; in func_pol()
8362 …2698 * t366 - 0.512e3 / 0.9e1 * t1457 * t7839 + 0.128e3 / 0.3e1 * t1463 * t7848 - 0.128e3 / 0.9e1 … in func_pol()
8366 …t7848 - 0.2048e4 / 0.9e1 * t1491 * t7881 + 0.1280e4 / 0.9e1 * t1498 * t7884 * t366 + 0.128e3 / 0.3… in func_pol()
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| H A D | mgga_k_pc07.c | 4203 double t7805, t7818, t7844, t7847, t7848, t7849, t7852, t7855; in func_ferr() local
6479 t7848 = t7847 * t68; in func_ferr()
6480 t7849 = t982 * t7848; in func_ferr()
6488 t7868 = t966 * t7848; in func_ferr()
7248 …t13037 = 0.313007357738e0 * t1751 * t13012 + 0.64668e1 * t564 * t7848 + 0.29041321e0 * t12708 * t4… in func_ferr()
7250 …t7848 + 0.32334e1 * t2681 * t1373 - 0.1878044146428e1 * t9650 * t1373 - 0.348495852e1 * t1639 * t7… in func_ferr()
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| H A D | mgga_x_scan.c | 3356 double t7756, t7773, t7776, t7782, t7800, t7806, t7827, t7848; in func_pol() local
7201 t7848 = t888 * t888; in func_pol()
7205 … * t7419 - 0.5e1 / 0.9e1 * t6614 - 0.5e1 / 0.27e2 * t6288 * t314 * t192 * t7848 - t795 * t314 * t1… in func_pol()
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| H A D | mgga_x_rscan.c | 428 double t7848, t7849, t7850, t7852, t7855, t7858, t7861, t7864; in func_unpol() local
4096 t7848 = 0.54808962785533905030e-3 * t7334; in func_unpol()
4098 … 0.15632812500000000000e-1 * t7754 - t7843 + t7844 - t7845 - t7846 - t7847 + t7848 - t7849 + t1961; in func_unpol()
6594 …00 + t5726 - t5729 - t1948 + t1951 - 0.12030689135811589658e-5 * t20530 + t7848 - t5647 + t5735 + … in func_unpol()
6941 …5e-5 * t24281 + t24284 - t24286 - t7843 + t7844 - t7845 - t7846 - t7847 + t7848 + 0.21104296875000… in func_unpol()
7425 double t7839, t7841, t7843, t7845, t7848, t7850, t7854, t7856; in func_ferr() local
10908 t7848 = t721 * t7666 * t723; in func_ferr()
10913 … - 0.1256e4 / 0.3e1 * t7841 + 0.288e3 * t7843 - 0.96e2 * t7845 + 0.18e2 * t7848 - 0.810e3 * t7854 … in func_ferr()
11080 …3 * t7843 - 0.64032000000000000000e2 * t7845 + 0.12006000000000000000e2 * t7848 - 0.54027000000000… in func_ferr()
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| H A D | mgga_x_mbeefvdw.c | 8868 double t7846, t7848, t7854, t7858, t7864, t7866, t7872, t7878; in func_ferr() local
11907 t7848 = t6180 * t369; in func_ferr()
11911 …* t7844 + 0.89062293518518518518e-2 * t7846 + 0.21010983611111111112e-1 * t7848 - 0.58664225833333… in func_ferr()
15702 …0 * t7844 + 0.11874972469135802469e0 * t7846 + 0.28014644814814814815e0 * t7848 - 0.78218967777777… in func_ferr()
17187 double t7843, t7845, t7847, t7848, t7850, t7852, t7853, t7855; in func_pol() local
21626 t7848 = t7847 * t624; in func_pol()
21656 …2 / 0.27e2 * t7814 + t7843 + 0.125e3 / 0.24e2 * t7845 - 0.250e3 / 0.3e1 * t7848 - 0.125e3 / 0.3e1 … in func_pol()
21811 …3330282291666666668e-2 * t7845 + 0.1148635778e-6 * t585 * t2742 - 0.11732845166666666667e0 * t7848; in func_pol()
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| H A D | hyb_mgga_xc_wb97mv.c | 4362 double t7846, t7848, t7850, t7851, t7853, t7855, t7856, t7858; in func_pol() local
9849 t7848 = t6806 * t1038; in func_pol()
9850 …000000000000000000e1 * t7843 + 0.16081979498692535067e2 * t7846 + 0.50000000000000000001e0 * t7848; in func_pol()
15838 …1 * t7843 + 0.48245938496077605201e2 * t7846 + 0.15000000000000000000e1 * t7848 + 0.30000000000000… in func_pol()
17026 …t31674 = -t10123 / 0.3e1 + 0.32163958997385070134e2 * t7846 + 0.10000000000000000000e1 * t7848 + 0… in func_pol()
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| H A D | mgga_c_revscan.c | 4249 double t7846, t7847, t7848, t7849, t7850, t7851, t7852, t7854; in func_pol() local
10215 t7848 = t2277 * t7799; in func_pol()
10216 t7849 = 0.10132118364233777144e0 * t7848; in func_pol()
17037 t27043 = 0.20264236728467554288e0 * t7848; in func_pol()
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| H A D | mgga_c_scanl.c | 11386 double t7833, t7836, t7837, t7840, t7841, t7844, t7845, t7848; in func_pol() local
17551 t7848 = t830 * t2424; in func_pol()
17552 t7849 = t1643 * t7848; in func_pol()
26401 …408e1 * t3998 * t9140 * t2412 - 0.35555555555555555556e1 * t9067 * t923 * t7848 - 0.23703703703703… in func_pol()
26417 t36447 = t9159 * t7848; in func_pol()
26507 …1851851852e1 * t14749 * t9874 + 0.88888888888888888890e0 * t9067 * t949 * t7848 + 0.59259259259259… in func_pol()
26697 …12e1 * t9067 * t2816 * t7844 - 0.35555555555555555556e1 * t9067 * t1011 * t7848 + 0.39506172839506… in func_pol()
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| H A D | mgga_x_mggac.c | 12112 double t7846, t7848, t7851, t7853, t7855, t7857, t7859, t7860; in func_ferr() local
16219 t7848 = t923 * t4609; in func_ferr()
16229 …t7867 = 0.1856e4 / 0.3e1 * t7839 - 0.60e2 * t7842 + 0.5e1 * t7846 + 0.20e2 * t7848 + t7851 - t7853… in func_ferr()
22595 …t45891 = -0.64e2 * t7839 + 0.36e2 * t7842 - 0.3e1 * t7846 - 0.12e2 * t7848 + t7851 - t7853 + t7855… in func_ferr()
24093 double t7847, t7848, t7849, t7850, t7851, t7852, t7853, t7854; in func_pol() local
33496 t7848 = t1909 * t1955; in func_pol()
33497 t7849 = t1025 * t7848; in func_pol()
47265 t36956 = t4812 * t7848; in func_pol()
47915 …+ t349 * t39474 / 0.2e1 + t1188 * t7808 / 0.3e1 + 0.4e1 / 0.3e1 * t5127 * t7848 + 0.2e1 / 0.3e1 * … in func_pol()
52179 …57987 / 0.24e2 + 0.8e1 / 0.9e1 * t36827 * t1979 + 0.8e1 / 0.9e1 * t7512 * t7848 - t1116 * t12497 /… in func_pol()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_optc.c | 2620 double t7835, t7840, t7841, t7842, t7846, t7847, t7848, t7851; in func_pol() local
7849 t7848 = t7847 * t907; in func_pol()
7866 …4 - 0.86931614897887578543e-1 * t943 * t7842 - 0.36274107210022222046e0 * t7848 * t7501 + 0.173863… in func_pol()
9045 …t10819 = -0.67174272611152263047e-1 * t967 * t10774 - 0.36274107210022222046e0 * t7848 * t10779 - … in func_pol()
13207 t23979 = t7848 * t23603; in func_pol()
13926 t26751 = t7848 * t2165 * t10778; in func_pol()
14040 …8310062836e0 * t954 * t763 * t23479 * t26105 - 0.10882232163006666614e1 * t7848 * t720 * t3539 * t… in func_pol()
16191 t38700 = t7848 * t2165 * t13247; in func_pol()
17561 t47649 = t7848 * t46890; in func_pol()
17563 …6140891672839457e0 * t2658 * t10715 * t47626 - 0.10882232163006666614e1 * t7848 * t720 * t4352 * t… in func_pol()
[all …]
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| H A D | gga_c_pbeloc.c | 2246 double t7844, t7846, t7848, t7849, t7855, t7856, t7857, t7859; in func_pol() local
6449 t7848 = 0.41558061853635513020e3 * t2124; in func_pol()
6453 …443 - t7844 + 0.12e2 * t1936 + t7846 + 0.14035736694323150897e2 * t2120 + t7848 + t7849 + 0.144e3 … in func_pol()
6483 …t7910 = 0.9e1 * t1936 + t7846 + 0.36e2 * t2498 + 0.10526802520742363173e2 * t2120 + t7848 + 0.3e1 … in func_pol()
6841 …6e1 * t1936 + t7846 + 0.24e2 * t2498 + 0.70178683471615754484e1 * t2120 + t7848 + 0.2e1 * t2531 - … in func_pol()
7143 …2 + 0.3e1 * t3206 + 0.6e1 * t3208 + 0.18e2 * t3210 - t7844 + t1937 + t7846 + t2121 + t7848 + t2129; in func_pol()
7432 …t13337 = t7839 + 0.72e2 * t3731 + 0.12e2 * t3208 - t7844 + t7846 + t7848 + t7849 - t7855 + t7856 -… in func_pol()
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| H A D | gga_c_pbe_vwn.c | 2180 double t7848, t7849, t7850, t7852, t7854, t7855, t7856, t7857; in func_pol() local
5500 t7848 = t3079 * t330; in func_pol()
5501 t7849 = 0.8e1 * t7848; in func_pol()
5692 t9055 = 0.12e2 * t7848; in func_pol()
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| H A D | gga_x_wpbeh.c | 6834 double t7822, t7831, t7832, t7835, t7836, t7848, t7852, t7853; in func_ferr() local
9779 t7848 = t3691 * t799; in func_ferr()
9780 t7852 = t1285 * t2112 - 0.2e1 * t7848 * t367 + t2383 + t2385; in func_ferr()
19366 t7848 = t980 * t2076; in func_pol()
19367 t7849 = t7848 * t915; in func_pol()
19943 t9687 = t7848 * t2101; in func_pol()
24707 t24498 = t7848 * t24497; in func_pol()
24721 t24546 = t7848 * t2765; in func_pol()
26989 t33058 = t7848 * t33021; in func_pol()
26997 t33092 = t7848 * t7409; in func_pol()
[all …]
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| H A D | gga_xc_b97.c | 2016 double t7834, t7835, t7836, t7846, t7848, t7849, t7850, t7852; in func_pol() local
6048 t7848 = t354 * t17 * t7846; in func_pol()
6049 t7849 = t7848 / 0.32e2; in func_pol()
8504 …v4rho3sigma[9] = -0.3e1 / 0.32e2 * t7848 - t7852 / 0.8e1 + t2 * (t22358 + t22486) + t20489 + 0.3e1… in func_pol()
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| H A D | gga_c_sg4.c | 2993 double t7847, t7848, t7849, t7850, t7851, t7852, t7853, t7854; in func_pol() local
8761 t7848 = 0.15198177546350665716e-1 * t7547; in func_pol()
8765 …t7852 = t7844 - t7334 - t7845 + t7846 + t7847 + t7848 - t7339 + t7340 + t7849 + t7850 + t7851 - t7… in func_pol()
14985 t30585 = t7847 + t7848 + t7849 + t7333 - t7335 + t7336 + t7348 - t27484 - t27485 + t7856 - t7349; in func_pol()
15478 …t31979 = t7340 + t31455 + t7848 + t7849 - t7339 - t7334 + t26722 + t31456 - 0.44762327744595563184… in func_pol()
15547 …t32599 = t7848 + t7849 + t7 * (t32405 + t32409 + t32414 + t32417 + t32566 + t32574 + t32584 + t325… in func_pol()
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| H A D | hyb_gga_xc_wb97.c | 2196 double t7836, t7838, t7839, t7841, t7842, t7844, t7847, t7848; in func_pol() local
6559 t7848 = t7847 / 0.48e2; in func_pol()
6562 …9 + 0.50000000000000000001e0 * t7842 + 0.50000000000000000001e0 * t7844 - t7848 - 0.7e1 / 0.48e2 *… in func_pol()
7467 …+ 0.32164683177870697974e2 * t10217 + 0.32164683177870697974e2 * t10219 - t7848 + t7851 / 0.24e2 +… in func_pol()
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| H A D | gga_c_ft97.c | 6228 double t7841, t7844, t7845, t7846, t7847, t7848, t7852, t7856; in func_pol() local
14270 t7848 = 0.1e1 / t7847; in func_pol()
14723 t8840 = t8839 * t7848; in func_pol()
14731 t8878 = t7848 * t135 * t138; in func_pol()
26786 …t7848 * t25 * t3066 + 0.14225713554822031171e0 * t8047 * t399 + 0.47419045182740103900e-1 * t8061 … in func_pol()
26787 t37927 = t7844 * t7848; in func_pol()
27258 t40139 = t549 * t7844 * t7848 * t554; in func_pol()
27277 t40227 = t8876 * t7848; in func_pol()
27278 t40231 = t128 * t7844 * t7848; in func_pol()
28457 …5274 * t7838 - 0.11932039946066717419e-8 * t45293 * t6426 * t35 * t7844 * t7848 - 0.13952940567862… in func_pol()
[all …]
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| H A D | gga_c_gaploc.c | 3310 double t7808, t7818, t7848, t7851, t7887, t7895, t7900, t7901; in func_ferr() local
5632 …t7848 = 0.89376224879626066674e-1 * t5578 * t3587 - 0.13406433731943910001e0 * t4998 * t3591 - 0.1… in func_ferr()
5723 …+ t8361 + t8401 + t7982 + t8240 + t8446 + t8196 + t8155 + t7519 + t7887 + t7848 + t7473 + t8538 + … in func_ferr()
6474 double t7840, t7844, t7845, t7848, t7849, t7852, t7855, t7858; in func_pol() local
11814 t7848 = t758 * t7449; in func_pol()
11815 t7849 = t520 * t7848; in func_pol()
16665 …72352449806e1 * t18658 * t917 - 0.92023022289409799223e1 * t763 * t1589 * t7848 + 0.69017266717057… in func_pol()
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| H A D | gga_c_acggap.c | 4318 double t7846, t7847, t7848, t7849, t7850, t7851, t7852, t7853; in func_pol() local
10006 t7848 = 0.15724046144802076034e-3 * t7847; in func_pol()
10021 …825 + t7829 + t7833 + t7839 - 0.31448092289604152068e-3 * t7842 - t7845 - t7848 - t7850 - t7853 - … in func_pol()
10512 …t8905 = t7829 + 0.71456696863449561620e-4 * t7832 + t7839 - t7845 - t7848 - t7850 - t7853 - t7855 … in func_pol()
10828 …t9638 = t7839 - t7845 - t7848 - t7850 - t7853 - t7855 + t7863 - t9259 - 0.22921875000000000000e-1 … in func_pol()
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| H A D | gga_c_q2d.c | 4155 double t7846, t7847, t7848, t7849, t7850, t7851, t7852, t7853; in func_pol() local
10152 t7848 = t487 * t5150; in func_pol()
10153 t7849 = t7847 * t7848; in func_pol()
15688 t25001 = t25000 * t7848; in func_pol()
18510 t36305 = t36304 * t7848; 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 | 1065 double t7822, t7824, t7827, t7828, t7845, t7848, t7851, t7855; in func_pol() local
3722 t7848 = t174 * t873 * t3380; in func_pol()
3725 …79 / 0.4e1 - t174 * t278 * t1401 * t709 / 0.8e1 - 0.7e1 / 0.4e1 * t7845 - t7848 / 0.8e1 - t7851 / … in func_pol()
4103 …6e1 + t7827 / 0.9e1 - t10068 / 0.12e2 - t10071 / 0.12e2 + t7845 / 0.3e1 - t7848 / 0.12e2 - t7851 /… in func_pol()
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| H A D | lda_c_pmgb06.c | 1772 double t7827, t7830, t7831, t7837, t7842, t7844, t7848, t7849; in func_pol() local
6427 t7848 = 0.1e1 / t9 / t1503; in func_pol()
6431 … 0.4e1 / 0.9e1 * t3973 * t2986 + t315 * t7844 / 0.3e1 - 0.28e2 / 0.81e2 * t7848 * t7849 + 0.8e1 / … in func_pol()
8615 …t376 * t317 - 0.2e1 / 0.3e1 * t4372 * t13003 + t13299 - 0.28e2 / 0.81e2 * t7848 * t733 * t2990 + 0… in func_pol()
8823 …t1174 * t5775 * t317 - t6798 * t1004 / 0.9e1 + t13299 - 0.28e2 / 0.81e2 * t7848 * t2303 * t1008 - … in func_pol()
11036 … t1174 * t7064 * t317 / 0.9e1 + t315 * t18520 / 0.3e1 - 0.28e2 / 0.81e2 * t7848 * t7067 * t320 - 0… in func_pol()
11161 …0.4e1 / 0.9e1 * t2102 * t7064 + t315 * t20772 / 0.3e1 - 0.28e2 / 0.81e2 * t7848 * t20775 + 0.8e1 /… in func_pol()
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