| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_ssb_sw.c | 665 double t880, t881, t882, t884, t886, t888, t889, t890; in func_pol() local
1255 t881 = t4 * t880; in func_pol()
1257 t884 = t881 * t377 * t882; in func_pol()
1298 t968 = t881 * t377 * t966; in func_pol()
1652 t1827 = t881 * t886 * t882; in func_pol()
1655 …t881 * t863 * t882 / 0.3e1 - t1797 / 0.3e1 - t376 * t1799 * t891 - t1803 / 0.6e1 - t376 * t890 * t… in func_pol()
1656 …- t1659 / 0.2e1 - t1662 / 0.6e1 - t1673 / 0.6e1 + 0.2e1 / 0.3e1 * t1676 + t881 * t377 * t867 * t10… in func_pol()
1681 …3e1 - 0.5e1 / 0.18e2 * t1529 + t1532 / 0.12e2 + 0.2e1 / 0.9e1 * t881 * t863 * t966 + t881 * t377 *… in func_pol()
1684 t2031 = t881 * t886 * t966; in func_pol()
1691 … 0.9e1 * t1676 - 0.4e1 / 0.9e1 * t896 * t875 * t401 * t8 + 0.4e1 / 0.9e1 * t881 * t890 * t378 * t8; in func_pol()
[all …]
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| H A D | gga_k_ol2.c | 526 double t861, t870, t871, t872, t874, t877, t880, t881; in func_pol() local
1112 t881 = t880 * t5; in func_pol()
1115 …3 / 0.2e1 + 0.5e1 / 0.6e1 * t872 + t347 * t874 / 0.3e1 + t347 * t877 / 0.2e1 + t881 * t882 / 0.2e1; in func_pol()
1127 ….5e1 / 0.6e1 * t856 + t860 + 0.5e1 / 0.6e1 * t886 + t347 * t888 / 0.3e1 - t881 * t891 / 0.2e1 + t8… in func_pol()
1453 …t881 * t824 * t621 + 0.2e1 / 0.3e1 * t1961 + t1963 / 0.2e1 + 0.5e1 / 0.9e1 * t1989 + 0.10e2 / 0.9e… in func_pol()
1465 …8 + t2091 - t2092 / 0.6e1 - t347 * t2037 * t625 / 0.9e1 - 0.2e1 / 0.3e1 * t881 * t861 * t643 + t34… in func_pol()
1470 …47 * t2018 * t708 / 0.9e1 + t347 * t2005 * t295 / 0.3e1 + 0.2e1 / 0.3e1 * t881 * t824 * t704 + 0.5… in func_pol()
1481 …* t716 / 0.9e1 - 0.2e1 / 0.3e1 * t881 * t861 * t720 + 0.5e1 / 0.3e1 * t2156 + 0.2e1 / 0.3e1 * t347… in func_pol()
1520 …6e1 * t2278 + t347 * t2237 * t255 / 0.3e1 + t347 * t2241 * t119 / 0.2e1 + t881 * t938 * t7 / 0.2e1; in func_pol()
1538 …1 / 0.6e1 * t2267 + 0.5e1 / 0.6e1 * t2290 + t347 * t2269 * t273 / 0.3e1 - t881 * t959 * t7 / 0.2e1… in func_pol()
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| H A D | gga_x_bayesian.c | 781 double t878, t880, t881, t882, t884, t886, t888, t889; in func_pol() local
1384 t881 = t4 * t880; in func_pol()
1386 t884 = t881 * t348 * t882; in func_pol()
1429 t972 = t881 * t348 * t970; in func_pol()
1826 t1943 = t881 * t886 * t882; in func_pol()
1828 …1 / 0.6e1 - 0.5e1 / 0.27e2 * t1937 * t348 * t151 * t647 + t1943 / 0.9e1 + t881 * t890 * t8 * t246 … in func_pol()
1842 …t881 * t863 * t882 / 0.3e1 - t1981 / 0.3e1 - t1984 / 0.6e1 - t347 * t1986 * t891 - t347 * t890 * t… in func_pol()
1856 t2187 = t881 * t886 * t970; in func_pol()
1860 …t881 * t863 * t970 + t881 * t348 * t395 * t261 / 0.9e1 - t347 * t863 * t974 / 0.3e1 - t347 * t348 … in func_pol()
1883 …1 / 0.27e2 * t1764 + t2000 + t2017 + t896 * t371 * t1026 * t139 / 0.3e1 + t881 * t348 * t1017 * t9… in func_pol()
[all …]
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| H A D | gga_c_chachiyo.c | 746 double t875, t877, t878, t881, t882, t883, t884, t885; in func_pol() local
1342 t881 = 0.1e1 / t513 * t66; in func_pol()
1343 t882 = t881 * t365; in func_pol()
1355 t897 = t881 * params->h * t896; in func_pol()
1779 t2216 = t881 * t122 * t2215; in func_pol()
1801 t2257 = t881 * t870 * t885; in func_pol()
1804 t2263 = t881 * t874; in func_pol()
1849 t2324 = t881 * t138 * t2215; in func_pol()
1860 t2353 = t881 * t913 * t885; in func_pol()
1924 t2443 = t881 * t932 * t935; in func_pol()
[all …]
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| H A D | gga_k_ol1.c | 387 double t880, t881, t884, t890, t891, t894, t896, t899; in func_pol() local
1045 t881 = t73 * t880; in func_pol()
1056 …867 + 0.4e1 / 0.3e1 * t870 + t73 * t74 * t876 / 0.2e1 + 0.16e2 / 0.27e2 * t881 + 0.4e1 / 0.3e1 * t… in func_pol()
1081 … t1002 - t853 / 0.3e1 - t856 / 0.3e1 - 0.2e1 / 0.27e2 * t867 + t870 / 0.3e1 + 0.4e1 / 0.9e1 * t881; in func_pol()
1141 …+ 0.8e1 / 0.27e2 * t1002 - t853 / 0.9e1 - t856 / 0.9e1 + 0.8e1 / 0.27e2 * t881 + 0.8e1 / 0.27e2 * … in func_pol()
1171 …t1514 = 0.4e1 / 0.27e2 * t881 + 0.4e1 / 0.27e2 * t891 - t1019 - t1032 - 0.10e2 / 0.9e1 * t1035 * t… in func_pol()
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| H A D | gga_c_scan_e0.c | 1413 double t873, t875, t881, t882, t883, t886, t889, t890; in func_pol() local
2444 t881 = t105 * t88; in func_pol()
2448 …3e1 * t105 * t886 - t875 * t107 + 0.3e1 * t273 * t337 + 0.3e1 * t335 * t278 - 0.12e2 * t881 * t883; in func_pol()
2907 …t1644 = 0.60e2 * t105 * t1634 + 0.3e1 * t105 * t1641 - t1623 * t107 - 0.36e2 * t881 * t1638 - 0.36… in func_pol()
3186 …- t2141 * t107 - 0.24e2 * t2151 * t883 + 0.60e2 * t881 * t2157 - 0.24e2 * t881 * t2161 - 0.12e2 * … in func_pol()
3335 …- t2514 * t107 - 0.24e2 * t2520 * t883 + 0.60e2 * t881 * t2528 - 0.24e2 * t881 * t2531 - 0.12e2 * … in func_pol()
4509 …t881 * t882 * t1340 - 0.72e2 * t2151 * t2161 - 0.36e2 * t2151 * t2164 - 0.36e2 * t881 * t710 * t20… in func_pol()
4510 …t5350 = -0.360e3 * t881 * t4521 * t330 * t1187 + 0.180e3 * t881 * t2156 * t1426 - 0.36e2 * t705 * … in func_pol()
4949 …t881 * t1632 * t971 * t383 - 0.24e2 * t881 * t710 * t2408 * t240 + 0.3e1 * t105 * t277 * t6461 - 0… in func_pol()
4998 …24e2 * t881 * t882 * t2016 + 0.60e2 * t881 * t2527 * t598 + 0.6e1 * t2514 * t278 - 0.24e2 * t2520 … in func_pol()
[all …]
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| H A D | gga_k_tflw.c | 349 double t860, t864, t880, t881, t882, t884, t885, t886; in func_pol() local
1027 t881 = t880 * t205; in func_pol()
1028 t882 = 0.10e2 / 0.27e2 * t881; in func_pol()
1079 … 0.81e2 * t711 - 0.22e2 / 0.81e2 * t713 - t718 - t730 + 0.40e2 / 0.81e2 * t881 + 0.40e2 / 0.81e2 *… in func_pol()
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| H A D | gga_x_pbetrans.c | 70 double t841, t842, t852, t853, t860, t867, t881, t882; in func_unpol() local
461 t881 = 0.1e1 / t39 / t461; in func_unpol()
462 t882 = t9 * t881; in func_unpol()
498 …t881 * t140 + 0.82232888888888888888e2 * t346 * t965 - 0.30456625514403292181e1 * t911 * t896 * t9… in func_unpol()
1273 double t872, t873, t876, t877, t880, t881, t882, t883; in func_pol() local
1866 t881 = 0.1e1 / t880; in func_pol()
1867 t882 = t39 * t881; in func_pol()
2516 t2530 = t881 * t883; in func_pol()
2729 t3920 = t881 * t224 * t338; in func_pol()
2870 t4760 = t881 * t705 * t139; in func_pol()
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| H A D | gga_k_thakkar.c | 751 double t857, t866, t869, t875, t878, t881, t884, t887; in func_pol() local
1340 t881 = t316 * t321 * t384; in func_pol()
1353 …t915 = 0.2e1 / 0.9e1 * t875 + t878 / 0.3e1 + 0.2e1 / 0.9e1 * t881 + 0.2e1 / 0.3e1 * t884 + t887 / … in func_pol()
1425 …t663 - t961 - t962 - t963 + 0.2e1 / 0.3e1 * t875 + t878 + 0.2e1 / 0.3e1 * t881 + 0.2e1 * t884 + t8… in func_pol()
1783 … + t2103) + 0.4e1 / 0.9e1 * t875 + 0.2e1 / 0.3e1 * t878 + 0.4e1 / 0.9e1 * t881 + 0.4e1 / 0.3e1 * t… in func_pol()
1806 …t1050 + t1052 + t1055 + t1058 + t1062 + 0.4e1 / 0.3e1 * t875 + 0.2e1 * t878 + 0.4e1 / 0.3e1 * t881; in func_pol()
1833 …e1 / 0.3e1 * t803 + 0.8e1 / 0.3e1 * t875 + 0.4e1 * t878 + 0.8e1 / 0.3e1 * t881 + 0.8e1 * t884 + 0.… in func_pol()
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| H A D | gga_c_pbe_vwn.c | 634 t881 = t325 * t327; in func_unpol()
635 t882 = t880 * t881; in func_unpol()
1517 t881 = t316 * t360; in func_ferr()
1518 t882 = t194 * t881; in func_ferr()
1564 t985 = t881 * t138; in func_ferr()
2905 t881 = 0.1e1 / t8 / t72; in func_pol()
2906 t882 = t112 * t881; in func_pol()
4270 t3731 = t881 * t65; in func_pol()
4852 t4916 = t6 * t881; in func_pol()
4881 t5097 = t178 * t179 * t881; in func_pol()
[all …]
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| H A D | gga_x_kt.c | 416 double t878, t881, t884, t888, t892, t896; in func_pol() local
1041 t881 = t861 * t108; in func_pol()
1047 …e1 * t818 * t875 - 0.32e2 / 0.9e1 * t340 * t878 - 0.32e2 / 0.9e1 * t340 * t881 + 0.4e1 / 0.3e1 * t… in func_pol()
1358 t2172 = t812 * t881; in func_pol()
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| H A D | gga_x_cap.c | 850 double t866, t875, t878, t879, t881, t883, t885, t887; in func_pol() local
1458 t881 = t7 * t879 * t353; in func_pol()
1474 …86 / 0.3e1 - t689 / 0.6e1 - t713 / 0.6e1 + t875 / 0.9e1 + 0.7e1 / 0.6e1 * t881 - t885 + t887 / 0.9… in func_pol()
1514 …t1000 = 0.2e1 / 0.9e1 * t875 - t881 / 0.3e1 + 0.2e1 / 0.9e1 * t887 - t895 - t898 + t905 / 0.3e1 - … in func_pol()
1925 …t2052 = -t719 + t1011 + 0.7e1 / 0.2e1 * t881 - 0.3e1 * t885 + t1012 - t891 / 0.2e1 - t894 - t897 -… in func_pol()
1957 …86 - t689 / 0.3e1 - t713 / 0.3e1 + 0.2e1 / 0.3e1 * t875 + 0.5e1 / 0.3e1 * t881 - 0.2e1 * t885 + 0.… in func_pol()
1978 …1 / 0.4e1 * t948 - t1109 - t1589 - t1592 + t726 + 0.3e1 / 0.4e1 * t864 + t660 + t680 + t875 - t881; in func_pol()
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| H A D | gga_x_htbs.c | 66 double t871, t877, t881, t890, t900, t905, t906, t907; in func_unpol() local
420 …t881 = 0.71296875000000000000e-1 * t17 * t871 * t21 - 0.66096240891681280590e-2 * t440 * t70 + 0.6… in func_unpol()
421 t890 = -t881; in func_unpol()
423 …t905 = t881 * t66 + 0.27439371595564631662e-1 * t797 * t180 - 0.62431103943572066335e-3 * t673 * t… in func_unpol()
500 t1542 = t881 * t12 * t27; in func_unpol()
585 double t881; in func_ferr() local
918 t881 = t88 * t880; in func_ferr()
920 v3sigma3[0] = -0.3e1 / 0.8e1 * t87 * t881; in func_ferr()
1005 v4rhosigma3[0] = -t303 * t881 / 0.2e1 - 0.3e1 / 0.8e1 * t87 * t88 * t1582; in func_ferr()
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| H A D | gga_x_herman.c | 343 double t867, t873, t878, t881, t882, t883, t884, t889; in func_pol() local
1010 …t881 = -0.2e1 / 0.3e1 * t336 - 0.2e1 * t340 + 0.4e1 / 0.3e1 * t344 - 0.2e1 * t347 - 0.2e1 * t356 -… in func_pol()
1012 v4rho4[0] = t722 + t881; in func_pol()
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| H A D | gga_x_2d_b88.c | 622 double t881, t883, t885, t888, t889, t892, t893, t894; in func_pol() local
1234 t881 = 0.1e1 / t348 / t116; in func_pol()
1237 …30 + 0.17010000000000000000e1 * t347 * t875 * t352 - 0.56700000000000000000e0 * t879 * t881 * t885; in func_pol()
1707 …45000000000000000e1 * t875 * t352 * sigma[2] - 0.42525000000000000000e1 * t881 * t885 * t347 + 0.1… in func_pol()
1898 …t352 + 0.10500000000000000000e-1 * t481 * t875 * t885 - 0.52500000000000000000e-1 * t881 * t2118)); in func_pol()
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| H A D | gga_x_g96.c | 421 double t881, t882, t883, t884, t887, t888, t889, t892; in func_pol() local
1134 t881 = t17 * t330 / 0.548e3; in func_pol()
1147 …v3rhosigma2[0] = -t881 - t882 * t884 / 0.548e3 - t111 * t889 / 0.1096e4 + t111 * t892 / 0.548e3 + … in func_pol()
1174 v3rhosigma2[6] = -t881 - t882 * t917 / 0.548e3 + t896 + t291 * t920 / 0.274e3; in func_pol()
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| H A D | gga_x_pbeint.c | 720 double t866, t868, t870, t871, t873, t877, t881, t882; in func_pol() local
1344 t881 = t274 * t292 * t378; in func_pol()
1345 t882 = t881 / 0.3e1; in func_pol()
1825 …t2102 = -t1842 - t730 - 0.2e1 * t732 - t736 - t741 + t746 + t750 - t881 - 0.3e1 / 0.2e1 * t885 - 0… in func_pol()
1832 …1 + t717 / 0.2e1 - t1841 - t1842 - 0.2e1 / 0.3e1 * t732 - 0.4e1 / 0.3e1 * t881 - t885 - t889 + 0.2… in func_pol()
1892 …6 - t2089 + t718 - t1841 - t1842 + t9 * (t2454 + t2491 + t2550 + t2609) - t881 - t903 - t989 / 0.2… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_teter93.c | 387 double t854, t856, t857, t860, t868, t870, t872, t881; in func_pol() local
798 t881 = 0.18e2 * t45 * t738; in func_pol()
801 …6 + 0.10119399131599019503e-1 * t758 - 0.20238798263198039007e-1 * t760 + t881 + 0.153935064222083… in func_pol()
828 …t997 = 0.119086804055547e0 * t971 + t881 - 0.84328326096658495860e-3 * t756 + 0.505969956579950975… in func_pol()
870 …- 0.16865665219331699172e-2 * t1186 + 0.16865665219331699172e-2 * t1188 + t881 + 0.168656652193316… in func_pol()
911 …t1484 = -0.25298497828997548758e-2 * t1186 + 0.50596995657995097516e-2 * t1188 + t881 - 0.84328326… in func_pol()
928 …75 - 0.46643007878307170372e0 * t986 - 0.20238798263198039007e-1 * t916 + t881 + t886 + t889 - 0.6… in func_pol()
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| H A D | lda_c_1d_csc.c | 503 double t878, t879, t880, t881, t882, t883, t884, t885; in func_pol() local
957 t881 = 0.12e2 * t381; in func_pol()
960 …+ t868) + t871 - t872 + t873 + t874 - t875 - t876 + t877 - t878 - t879 + t880 + t881 - t882 - t883; in func_pol()
991 …t915 = t1 * (t900 + t905 + t909) + t873 + t912 - t875 - t876 + t877 - t878 - t913 + t914 + t881 - … in func_pol()
999 …9 + t1 * (t922 + t923 + t925 + t908) + t873 - t875 - t876 + t877 - t878 + t881 - t882 - t883 + t88… in func_pol()
1004 …t934 = t1 * (t900 + t930 + t909) + t873 - t912 - t875 - t876 + t877 - t878 + t913 - t914 + t881 - … in func_pol()
1009 …+ t868) + t871 - t872 + t873 - t874 - t875 - t876 + t877 - t878 + t879 - t880 + t881 - t882 - t883; in func_pol()
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| H A D | lda_c_chachiyo_mod.c | 308 double t845, t852, t864, t876, t881, t887, t890, t895; in func_pol() local
679 t881 = t197 * t197; in func_pol()
683 … * (-0.28e2 / 0.81e2 * t512 * t876 + 0.8e1 / 0.9e1 * t372 * t197 - t141 * t881 / 0.3e1 - 0.4e1 / 0… in func_pol()
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| H A D | lda_c_pz.c | 364 double t881, t887, t890, t895; in func_pol() local
679 t881 = t285 * t285; in func_pol()
684 …1e2 * t637 * t876 - 0.16e2 / 0.9e1 * t464 * t285 + 0.4e1 / 0.3e1 * t236 * t881 + 0.16e2 / 0.9e1 * … in func_pol()
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| H A D | lda_c_vwn_4.c | 785 double t868, t871, t873, t879, t880, t881, t883, t884; in func_pol() local
1430 t881 = 0.10363566666666666667e-1 * t880; in func_pol()
1525 …t1128 = t825 + t827 + t881 - t884 + t887 + t890 - t896 - t900 + t903 + t947 + t949 + t951 - t1123 … in func_pol()
1528 …t1137 = -t754 - t758 - t762 + t764 - 0.49952602123169151963e-3 * t455 * t368 - t825 - t827 - t881 … in func_pol()
1686 … / 0.12e2 - t816 / 0.24e2 - t819 / 0.24e2 - t821 / 0.12e2 + t825 + t827 + t881 - t884 + t887 + t89… in func_pol()
1747 …62 - t764 + 0.4e1 * t1545 - t780 / 0.24e2 - t783 / 0.24e2 + t825 + t827 + t881 - t884 + t887 + t89… in func_pol()
1780 …t1629 = t754 + t758 + t762 - t764 - 0.12e2 * t1545 + t825 + t827 + t881 - t884 + t887 + t890 - t89… in func_pol()
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| H A D | lda_c_2d_amgb.c | 649 double t877, t880, t881, t882, t884, t885, t886, t887; in func_pol() local
1255 t881 = t328 * t41; in func_pol()
1256 t882 = 0.12e2 * t881; in func_pol()
1470 … (t1500 + t1526) + t1532 / 0.3e1 - 0.4e1 / 0.3e1 * t1344 + t880 - 0.4e1 * t881 + t884 - 0.24e2 * t… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_tpss.c | 674 t881 = t880 * t155; in func_unpol()
7718 t881 = t880 * t80; in func_pol()
15231 t20016 = t881 * t5054; in func_pol()
16001 t22050 = t881 * t1329; in func_pol()
16090 t22223 = t881 * t1350; in func_pol()
16124 t22299 = t881 * t5468; in func_pol()
28763 t90282 = t881 * t4725; in func_pol()
28765 t90285 = t881 * t4729; in func_pol()
28932 t90799 = t881 * t4785; in func_pol()
28934 t90802 = t881 * t4789; in func_pol()
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| H A D | mgga_c_b88.c | 3756 t987 = t337 * t881; in func_pol()
4901 t2687 = t295 * t881; in func_pol()
4933 t2738 = t1280 * t881; in func_pol()
5738 t3993 = t1291 * t881; in func_pol()
5767 t4022 = t1285 * t881; in func_pol()
5898 t4210 = t345 * t881; in func_pol()
5932 t4296 = t392 * t881; in func_pol()
8005 t8334 = t881 * t881; in func_pol()
8578 t11888 = t438 * t881; in func_pol()
8588 t11953 = t72 * t881; in func_pol()
[all …]
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