/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_k_pw86.c | 533 double t901, t902, t906, t907, t908, t909, t912, t916; in func_pol() local 1147 t908 = t237 * t188; in func_pol() 1148 t909 = t908 * t215; in func_pol() 1176 t972 = t908 * t289; in func_pol() 1544 … t908 * t488 + t967 * t968 * t492 / 0.15e2 - 0.14e2 / 0.75e2 * t907 * t2402 * t215 - 0.7e1 / 0.75e… in func_pol() 1569 …t908 * t639 - t2511 * t968 * t656 / 0.135e3 + 0.2e1 / 0.45e2 * t2515 * t968 * t663 + 0.203e3 / 0.3… in func_pol() 1591 …t908 * t764 + t179 * t901 * t395 * t324 / 0.45e2 + 0.2e1 / 0.45e2 * t2515 * t968 * t753 + t2603 / … in func_pol() 1637 …58 + 0.406e3 / 0.3375e4 * t907 * t2844 * t215 - 0.28e2 / 0.225e3 * t907 * t908 * t912 + 0.812e3 / … in func_pol() 1664 …82 + 0.203e3 / 0.3375e4 * t907 * t2844 * t289 - 0.14e2 / 0.225e3 * t907 * t908 * t975 - 0.7e1 / 0.… in func_pol() 1715 … / 0.1875e4 * t179 * t920 * t431 * t395 - t3096 - 0.7e1 / 0.75e2 * t907 * t908 * t1080 + 0.203e3 /… in func_pol() [all …]
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H A D | gga_k_pearson.c | 530 double t889, t892, t897, t901, t903, t907, t908, t917; in func_pol() local 1112 t908 = t253 * t187; in func_pol() 1114 …v3rho2sigma[2] = 0.5e1 / 0.3e1 * t903 + t907 + t368 * t908 * t255 / 0.3e1 + t368 * t396 * t263 / 0… in func_pol() 1131 t935 = t908 * t291; in func_pol() 1147 t955 = t908 * t322; in func_pol() 1459 …10 + 0.5e1 / 0.2e1 * t2113 - t2117 - t368 * t2118 * t527 / 0.9e1 + t368 * t908 * t534 + t368 * t39… in func_pol() 1481 … / 0.6e1 - t368 * t2118 * t660 / 0.9e1 - 0.2e1 / 0.3e1 * t928 * t908 * t678 + t368 * t908 * t674 /… in func_pol() 1497 …1 * t928 * t908 * t757 + 0.5e1 / 0.3e1 * t2237 + 0.2e1 / 0.3e1 * t368 * t2192 * t291 - t928 * t943… in func_pol() 1507 …* t2229 + 0.5e1 * t2237 + 0.5e1 / 0.2e1 * t2244 - t368 * t2118 * t811 / 0.9e1 + t368 * t908 * t815; in func_pol()
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H A D | gga_xc_th1.c | 501 double t884, t887, t890, t905, t908, t911, t912, t923; in func_pol() local 1057 t908 = t124 * t813; in func_pol() 1061 …301 + t97 * t857 / 0.2e1 + 0.3e1 / 0.4e1 * t905 * t122 + 0.10e2 / 0.9e1 * t908 * t122 + 0.55e2 / 0… in func_pol() 1394 …2 / 0.72e2 * t943 * t188 + 0.3e1 / 0.4e1 * t905 * t178 + 0.10e2 / 0.9e1 * t908 * t178 + 0.55e2 / 0… in func_pol() 1492 …2 / 0.24e2 * t943 * t301 + 0.9e1 / 0.4e1 * t905 * t309 + 0.10e2 / 0.3e1 * t908 * t309 + 0.55e2 / 0… in func_pol() 1621 …e1 / 0.9e1 * t940 * t403 + 0.3e1 / 0.4e1 * t905 * t413 + 0.10e2 / 0.9e1 * t908 * t413 + 0.55e2 / 0… in func_pol() 1628 …v3rho2sigma[7] = -0.3e1 / 0.2e1 * t905 * t120 + 0.16e2 * t2722 - t2459 - 0.20e2 / 0.9e1 * t908 * t… in func_pol() 2075 …2 / 0.24e2 * t943 * t705 + 0.9e1 / 0.4e1 * t905 * t683 + 0.10e2 / 0.3e1 * t908 * t683 - 0.3e1 / 0.… in func_pol() 2293 … * t2649 + t128 * t6130 + 0.3e1 / 0.4e1 * t905 * t1009 + 0.10e2 / 0.9e1 * t908 * t1009 + 0.55e2 / … in func_pol() 2322 t6392 = t908 * t175; in func_pol() [all …]
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H A D | gga_x_2d_pbe.c | 412 double t908, t910, t912, t920, t923, t924, t929, t931; in func_pol() local 1191 t908 = t43 * t907; in func_pol() 1198 … t893 + 0.2e1 * t898 + 0.3e1 * t901 - 0.6e1 * t110 * t22 * t903 - 0.6e1 * t908 + 0.404893437151658… in func_pol() 1247 …70 - 0.2e1 * t882 + t898 / 0.2e1 + 0.3e1 / 0.2e1 * t901 - 0.9e1 / 0.2e1 * t908 + 0.202446718575829… in func_pol() 1304 …t1371 = -0.3e1 * t908 + 0.67482239525276429492e-2 * t910 + t934 / 0.2e1 - 0.3e1 * t941 + t473 * t5… in func_pol() 1349 …935983178e-2 * t1100 + 0.25305839821978661059e-2 * t866 - 0.3e1 / 0.2e1 * t908 - 0.3e1 / 0.2e1 * t… in func_pol()
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H A D | gga_x_ft97.c | 532 double t817, t836, t847, t868, t902, t903, t908, t920; in func_ferr() local 879 …t908 = t52 * t53 * t196 * t369 / 0.6e1 + t185 * t329 / 0.2e1 + 0.44e2 / 0.9e1 * t312 * t198 - 0.8e… in func_ferr() 881 …e1 - t378 * t233 / 0.2e1 - 0.3e1 / 0.2e1 * t179 * t467 - 0.3e1 / 0.8e1 * t43 * t44 * (t868 + t908); in func_ferr() 1008 double t898, t900, t902, t904, t905, t906, t908, t909; in func_pol() local 1676 t908 = t7 * t906 * t93; in func_pol() 1677 t909 = t908 / 0.3e1; in func_pol() 1747 …8 / 0.6e1 - t868 / 0.3e1 - t870 / 0.6e1 - t900 / 0.18e2 + 0.2e1 / 0.9e1 * t908 - t920 / 0.18e2 - t… in func_pol() 1789 ….3e1 + t971 / 0.3e1 - t979 + t928 / 0.9e1 + 0.2e1 / 0.9e1 * t982 - t991 + t908 / 0.9e1 - t1105 / 0… in func_pol() 2222 …e1 / 0.9e1 * t896 - 0.2e1 / 0.3e1 * t900 - 0.2e1 * t904 + 0.4e1 / 0.3e1 * t908 + 0.4e1 / 0.9e1 * t… in func_pol() 2266 …t2407 = -t866 - 0.2e1 * t868 - t870 - t875 - t880 - t885 + t897 - t900 / 0.3e1 + t908 + t917 - t92… in func_pol() [all …]
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H A D | gga_k_ol1.c | 388 double t902, t903, t908, t911, t913, t914, t917, t922; in func_pol() local 1054 t908 = t405 * t205 * t406; in func_pol() 1056 …158 * t74 * t896 + 0.4e1 / 0.27e2 * t902 * t102 * t903 - 0.8e1 / 0.27e2 * t908 - 0.4e1 / 0.9e1 * t… in func_pol() 1093 …t1043 = t884 / 0.3e1 + 0.4e1 / 0.9e1 * t891 - 0.2e1 / 0.9e1 * t894 - 0.2e1 / 0.27e2 * t908 - 0.2e1… in func_pol()
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H A D | gga_k_mpbe.c | 723 double t900, t902, t904, t906, t908, t910, t912, t914; in func_pol() local 1278 t908 = t7 * t121; in func_pol() 1279 t910 = t315 * t435 * t908; in func_pol() 1667 t1848 = t315 * t940 * t908; in func_pol() 1679 …t1922 = 0.4e1 / 0.3e1 * t1890 + 0.2e1 / 0.3e1 * t1893 + 0.2e1 * t315 * t945 * t908 + t315 * t435 *… in func_pol() 1721 …732 - 0.2e1 / 0.27e2 * t1738 - 0.4e1 / 0.9e1 * t6 * t728 * t434 * t1936 * t908 + 0.4e1 / 0.9e1 * t… in func_pol() 1809 …4 / 0.2e1 - t546 * t2644 * t926 / 0.9e1 + 0.2e1 / 0.3e1 * t1275 * t1187 * t908 + 0.5e1 / 0.9e1 * t… in func_pol()
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H A D | gga_x_pbeint.c | 722 double t897, t898, t900, t903, t904, t906, t907, t908; in func_pol() local 1361 t908 = t143 * t161; in func_pol() 1362 t909 = t908 * t94; in func_pol() 1820 …08 * t108 * t202 * t798 / 0.2e1 + t2038 - t906 * t907 * t908 * t281 / 0.2e1 + t2044 * t907 * t908 … in func_pol() 1865 …9 - t1011 * t1012 * t1013 * t357 / 0.3e1 - 0.2e1 / 0.3e1 * t2054 * t907 * t908 * t8 + 0.2e1 / 0.9e… in func_pol() 1891 … t2597 / 0.2e1 + 0.3e1 / 0.4e1 * t2600 + t2603 - t2395 / 0.3e1 - t906 * t907 * t908 * t425 / 0.2e1; in func_pol()
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H A D | gga_x_mpbe.c | 740 double t898, t900, t901, t903, t904, t905, t907, t908; in func_pol() local 1311 t908 = 0.5e1 / 0.36e2 * t907; in func_pol() 1320 …t921 = -t878 - t882 - t884 - t886 / 0.2e1 - t891 - t895 - t904 - t908 - t910 / 0.2e1 - t916 - t920; in func_pol() 1355 …7e1 / 0.6e1 * t970 + t973 / 0.12e2 - t976 / 0.2e1 + t979 / 0.2e1 - t920 - t908 + t802 / 0.6e1 - t8… in func_pol() 1415 …04 / 0.6e1 - t1107 / 0.18e2 - t961 + t970 / 0.3e1 + t973 / 0.6e1 - t920 - t908 + t802 / 0.12e2 + 0… in func_pol() 1476 …t1245 = -t1152 - t908 - t920 + t1153 - 0.3e1 / 0.8e1 * t1037 - t1160 - t1164 - t1168 - t1172 - t11… in func_pol()
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H A D | gga_c_acggap.c | 2011 double t903, t908, t909, t910, t911, t914, t917, t918; in func_ferr() local 2642 t908 = t51 * t80; in func_ferr() 6540 t908 = t899 * t907; in func_pol() 7846 t3201 = t1030 * t908; in func_pol() 8077 t3677 = t1016 * t908; in func_pol() 9887 t7695 = t2064 * t908; in func_pol() 12121 t12573 = t3369 * t908; in func_pol() 12171 t12750 = t3300 * t908; in func_pol() 12510 t13873 = t3625 * t908; in func_pol() 15624 t30219 = t7737 * t908; in func_pol() [all …]
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H A D | gga_x_pbea.c | 432 double t894, t895, t896, t897, t901, t904, t907, t908; in func_pol() local 1118 t908 = t328 * t907; in func_pol() 1126 …0203107560849116163e-3 * t307 * t904 + 0.18060932268254734849e-2 * t895 * t908 - 0.632503963625076… in func_pol() 1500 t2417 = t2359 * t908; in func_pol()
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H A D | gga_x_g96.c | 422 double t896, t897, t898, t901, t905, t906, t907, t908; in func_pol() local 1164 t908 = t907 * t79; in func_pol() 1169 v3rhosigma2[5] = -t905 - t906 * t908 / 0.548e3 + t912 + t306 * t914 / 0.274e3; in func_pol() 1570 t2472 = t634 * t908; in func_pol()
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H A D | gga_k_ol2.c | 528 double t904, t908, t911, t913, t928, t929, t932, t933; in func_pol() local 1137 t908 = t861 * t304; in func_pol() 1145 …v3rho2sigma[8] = 0.5e1 / 0.3e1 * t886 + t860 + t894 + t347 * t908 / 0.3e1 + t347 * t911 + t347 * t… in func_pol() 1475 t2148 = t871 * t908; in func_pol()
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H A D | gga_x_c09x.c | 544 double t896, t900, t901, t903, t904, t905, t907, t908; in func_pol() local 1137 t908 = t907 / 0.2e1; in func_pol() 1145 …t918 = -t887 - t891 - t896 - t766 / 0.2e1 - t769 / 0.6e1 - t772 - t775 / 0.2e1 + t904 - t908 + t91… in func_pol() 1463 …t2021 = -t908 + t805 / 0.3e1 - t809 - t813 / 0.2e1 - t1581 - t1584 - 0.3e1 / 0.4e1 * t816 + 0.3e1 … in func_pol()
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H A D | gga_x_s12.c | 733 double t899, t900, t902, t903, t904, t906, t907, t908; in func_pol() local 1368 t908 = -t891; in func_pol() 1369 t909 = t75 * t908; in func_pol() 1812 …5 * t146 - 0.3e1 * t128 * t84 * t416 * t376 - 0.2e1 * t128 * t84 * t173 * t908 - t128 * t84 * t75 … in func_pol() 1901 …* t146 - 0.3e1 / 0.2e1 * t427 * t461 * t496 * t376 - t427 * t461 * t210 * t908 / 0.2e1 - 0.3e1 / 0… in func_pol()
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H A D | gga_x_sg4.c | 707 double t902, t904, t906, t908, t910, t912, t914, t916; in func_pol() local 1318 t908 = t825 * t375 * t906; in func_pol() 1332 …t939 = t900 / 0.9e1 - t904 / 0.6e1 + t908 / 0.9e1 + t912 / 0.3e1 - t916 / 0.3e1 - t920 / 0.6e1 - t… in func_pol() 1740 … + t2098 + t2128) + 0.2e1 / 0.9e1 * t900 - t904 / 0.3e1 + 0.2e1 / 0.9e1 * t908 + 0.2e1 / 0.3e1 * t… in func_pol() 1763 …t2346 = -t904 / 0.2e1 + t908 / 0.3e1 + t912 - t916 - t920 / 0.2e1 - t924 - t1906 - t1908 - t1101 -… in func_pol()
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H A D | gga_x_vmt.c | 689 double t894, t896, t898, t901, t902, t904, t906, t908; in func_pol() local 1283 t908 = t7 * t371 * t906; in func_pol() 1305 …t952 = -t891 / 0.3e1 - t894 / 0.6e1 - t898 / 0.2e1 - t904 / 0.2e1 + t908 - t912 / 0.2e1 - t916 / 0… in func_pol() 1704 …98 + t2120) - 0.2e1 / 0.3e1 * t891 - t894 / 0.3e1 - t898 - t904 + 0.2e1 * t908 - t912 - t916 - t91… in func_pol() 1727 …t2340 = -0.3e1 / 0.2e1 * t898 - 0.3e1 / 0.2e1 * t904 + 0.3e1 * t908 - 0.3e1 / 0.2e1 * t912 - 0.3e1… in func_pol()
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H A D | gga_x_b88.c | 690 double t904, t906, t908, t910, t912, t914, t916, t919; in func_pol() local 1287 t908 = t813 * t352 * t906; in func_pol() 1302 …t943 = -t892 / 0.3e1 - t896 / 0.6e1 + t900 / 0.9e1 - t904 / 0.6e1 + t908 / 0.9e1 + t912 / 0.3e1 - … in func_pol() 1710 …92 - t896 / 0.3e1 + 0.2e1 / 0.9e1 * t900 - t904 / 0.3e1 + 0.2e1 / 0.9e1 * t908 + 0.2e1 / 0.3e1 * t… in func_pol() 1732 …12) - t1022 - t1031 - t892 - t896 / 0.2e1 + t900 / 0.3e1 - t904 / 0.2e1 + t908 / 0.3e1 + t912 - t9… in func_pol()
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H A D | gga_k_llp.c | 690 double t908, t910, t911, t913, t921, t924, t932, t933; in func_pol() local 1263 t908 = t332 * t177; in func_pol() 1264 t910 = t129 * t908 * t7; in func_pol() 1651 …9e1 * t2043 + 0.2e1 / 0.3e1 * t302 * t351 * t755 - 0.4e1 / 0.3e1 * t302 * t908 * t759 + 0.2e1 / 0.… in func_pol() 1675 … * t130 * t1027 * t131 + t655 * t346 * t370 * t7 / 0.3e1 - 0.2e1 * t302 * t908 * t857 + t302 * t87… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_x_rel.c | 390 double t908, t913, t934, t937; in func_pol() local 737 t908 = t221 * t221; in func_pol() 739 …9e1 * t191 * t446 + 0.4e1 / 0.3e1 * t15 * t905 + 0.40e2 / 0.81e2 * t600 * t908 - 0.16e2 / 0.9e1 * … in func_pol()
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H A D | lda_c_1d_csc.c | 506 double t902, t903, t904, t905, t907, t908, t909, t912; in func_pol() local 986 t908 = -t804 - t806 - t808 + t811 - t813 + t815 + t817 + t819 + t823 + t827 - t830 - t835; in func_pol() 987 t909 = t907 + t908; in func_pol() 999 …t929 = -0.8e1 * t267 + 0.16e2 * t269 + t1 * (t922 + t923 + t925 + t908) + t873 - t875 - t876 + t87… in func_pol()
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
H A D | xc_tpss.F | 968 t847, t849, t85, t853, t854, t86, t861, t87, t873, t879, t88, t882, t888, t893, t9, t908, & local 1556 t908 = 0.1e1_dp/t86 1557 z_sp2rhob = -t5*t908*t93/0.8e1_dp 1616 rs_s2rhob = -t148/t1111*t76*t908/0.12e2_dp 1619 t14*t76/0.6e1_dp - t166*t167*t908/0.2e1_dp
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/dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
H A D | xc_tpss.F | 968 t847, t849, t85, t853, t854, t86, t861, t87, t873, t879, t88, t882, t888, t893, t9, t908, & local 1556 t908 = 0.1e1_dp/t86 1557 z_sp2rhob = -t5*t908*t93/0.8e1_dp 1616 rs_s2rhob = -t148/t1111*t76*t908/0.12e2_dp 1619 t14*t76/0.6e1_dp - t166*t167*t908/0.2e1_dp
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_task.c | 608 t908 = t2 * t331; in func_unpol() 2086 t908 = t322 * t10; in func_ferr() 3940 t927 = t166 * t908; in func_pol() 3945 t940 = t173 * t908; in func_pol() 4682 t2513 = t359 * t908; in func_pol() 4689 t2538 = t352 * t908; in func_pol() 4878 t3073 = t140 * t908; in func_pol() 4882 t3087 = t474 * t908; in func_pol() 5075 t3520 = t560 * t908; in func_pol() 5081 t3558 = t574 * t908; in func_pol() [all …]
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H A D | hyb_mgga_x_pjs18.c | 565 t908 = t179 * t712; in func_unpol() 4776 t909 = t173 * t908; in func_pol() 4795 t961 = t735 * t908; in func_pol() 4809 t1005 = t734 * t908; in func_pol() 5441 t2746 = t449 * t908; in func_pol() 5538 t3115 = t908 * t666; in func_pol() 5735 t3621 = t908 * t908; in func_pol() 5784 t3805 = t3265 * t908; in func_pol() 7012 t7981 = t1375 * t908; in func_pol() 7209 t8925 = t908 * t671; in func_pol() [all …]
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