| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn.c | 847 double t2085, t2087, t2089, t2090, t2094, t2097, t2101, t2104; in func_pol() local
1916 t2087 = 0.12420094242202632684e0 * t1313 * t129 * t2085; in func_pol()
1918 …* t1207 * t127 * t1719 - 0.16862113513206061329e-1 * t1197 * t1793 * t1198 - t2083 + t2087 + t2089; in func_pol()
1986 …t2477 = -t2469 / 0.2e1 - t2472 / 0.4e1 - t2475 / 0.6e1 + t2083 - t2087 - t2089 + t2094 - t2097 + t… in func_pol()
2087 …t2942 = -t2466 / 0.8e1 - t2469 / 0.4e1 - t2472 / 0.8e1 - t2475 / 0.8e1 + t2083 - t2087 - t2089 + t… in func_pol()
2174 … t2022 - t2423 / 0.24e2 - t2469 / 0.12e2 - t2472 / 0.24e2 - t2475 / 0.12e2 + t2083 - t2087 - t2089; in func_pol()
2207 …6 - t1939 - t1941 + t1997 + t1999 + t2002 - t2008 + t2014 - t2022 - t2475 / 0.24e2 + t2083 - t2087; in func_pol()
2237 …t3571 = t1999 + t2002 - t2008 + t2014 - t2022 + t2083 - t2087 - t2089 + t2094 - t2097 + t2101 + t2… in func_pol()
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| H A D | lda_c_vwn_2.c | 842 double t2085, t2086, t2087, t2088, t2089, t2091, t2093, t2094; in func_pol() local
1924 t2087 = t984 * t257; in func_pol()
1925 t2088 = t2087 / 0.12e2; in func_pol()
2381 t4345 = t2087 / 0.4e1; in func_pol()
2397 … 0.4e1 - t2050 / 0.4e1 - t2080 / 0.12e2 - t2082 / 0.6e1 - t2085 / 0.3e1 - t2087 / 0.3e1 - t2089 / … in func_pol()
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| H A D | lda_xc_bn05.c | 862 double t2087, t2093, t2095, t2097, t2098, t2099, t2103, t2106; in func_pol() local
2095 t2087 = t2086 * t46; in func_pol()
2117 ….9e1 + 0.10e2 / 0.81e2 * t2121 - 0.4e1 / 0.27e2 * t2124 + 0.3e1 * t2127 + t2087 + t661 * t2130 / 0… in func_pol()
2118 …18e2 + t2077 + 0.10e2 / 0.81e2 * t2080 - t661 * t2083 / 0.6e1 - t48 * t51 * t2087 / 0.18e2 + t2133; in func_pol()
3039 t4790 = t48 * t229 * t2087; in func_pol()
3097 …7 * t207 + 0.6e1 * t638 * t599 + 0.6e1 * t226 * t2000 + 0.6e1 * t640 * t599 + 0.2e1 * t2087 * t207; in func_pol()
3678 …t2087 * t440 - 0.28e2 / 0.81e2 * t1119 * t2938 * t6487 + t7263 / 0.27e2 + 0.4e1 / 0.27e2 * t23 * t… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_k_pc07.c | 1336 t2087 = t2017 * t140; in func_unpol()
5239 t2087 = t329 * t687; in func_ferr()
9954 t2087 = t650 * t80; in func_pol()
9955 t2088 = t2086 * t2087; in func_pol()
9966 t2111 = t2105 * t2087; in func_pol()
10311 t2935 = t1003 * t2087; in func_pol()
10329 t2981 = t2938 * t2087; in func_pol()
10338 t3003 = t2971 * t2087; in func_pol()
10343 t3014 = t3010 * t2087; in func_pol()
10610 t3735 = t1246 * t2087; in func_pol()
[all …]
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| H A D | hyb_mgga_x_js18.c | 1250 t2088 = t19 * t2087; in func_unpol()
1252 t2092 = t20 * t2087; in func_unpol()
1257 t2110 = t256 * t2087; in func_unpol()
1270 t2162 = t207 * t2087; in func_unpol()
1276 t2191 = t475 * t2087; in func_unpol()
2057 t5270 = t245 * t2087; in func_unpol()
2075 t5329 = t457 * t2087; in func_unpol()
2082 t5376 = t765 * t2087; in func_unpol()
2385 t6584 = t45 * t2087; in func_unpol()
2472 t6871 = t39 * t2087; in func_unpol()
[all …]
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| H A D | mgga_x_mbrxh_bg.c | 15553 t2087 = t2086 * t47; in func_pol()
15554 t2088 = t2087 * t466; in func_pol()
16751 t3790 = t2087 * t3569; in func_pol()
18435 t5947 = t2087 * t5894; in func_pol()
19373 t7053 = t2087 * t7052; in func_pol()
20259 t8035 = t2087 * t8034; in func_pol()
21027 t9080 = t2087 * t1351; in func_pol()
21428 t9673 = t2087 * t9465; in func_pol()
22293 t10786 = t2087 * t1680; in func_pol()
22819 t12197 = t2087 * t2037; in func_pol()
[all …]
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| H A D | mgga_c_bc95.c | 2147 double t2082, t2083, t2084, t2086, t2087, t2089, t2090, t2091; in func_pol() local
4333 t2087 = t65 * t534; in func_pol()
4334 t2089 = 0.43181527777777777777e-2 * t2086 * t2087; in func_pol()
7371 t7000 = t6999 * t2087; in func_pol()
7374 t7003 = t7002 * t2087; in func_pol()
7439 t7065 = t7064 * t2087; in func_pol()
7442 t7068 = t7067 * t2087; in func_pol()
7446 t7072 = t1922 * t2087; in func_pol()
10181 t20275 = tau[1] * t587 * t111 * t2087; in func_pol()
10586 …t2087 - 0.43181527777777777777e-2 * t1221 * t2046 * t2087 - 0.43181527777777777777e-2 * t1179 * t2… in func_pol()
[all …]
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| H A D | mgga_x_gvt4.c | 1350 double t2049, t2051, t2063, t2064, t2065, t2068, t2070, t2087; in func_pol() local
2984 t2087 = t709 * t213; in func_pol()
2985 … 0.40e2 / 0.27e2 * t1847 + 0.40e2 / 0.27e2 * t1856 + 0.4e1 * t388 * t155 + 0.10e2 / 0.27e2 * t2087; in func_pol()
3031 …8e1 / 0.81e2 * t1822 + 0.80e2 / 0.81e2 * t1847 + 0.80e2 / 0.81e2 * t1856 + 0.20e2 / 0.27e2 * t2087; in func_pol()
3060 …t2536 = 0.40e2 / 0.81e2 * t1856 + 0.10e2 / 0.9e1 * t2087 - 0.8e1 / 0.9e1 * t2100 * t168 * t419 * t… in func_pol()
3095 …+ 0.160e3 / 0.81e2 * t2051 + 0.160e3 / 0.81e2 * t2065 + 0.40e2 / 0.27e2 * t2087 - 0.16e2 / 0.9e1 *… in func_pol()
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| H A D | mgga_x_tpss.c | 3504 double t2083, t2084, t2087, t2091, t2092, t2093, t2094, t2098; in func_pol() local
4902 t2087 = t764 * t858; in func_pol()
4911 …* t2079 * t765 + 0.9e1 / 0.512e3 * t763 * t2084 - 0.9e1 / 0.16e2 * t763 * t2087 + 0.3e1 / 0.4096e4… in func_pol()
5291 …t765 / 0.8e1 + 0.3e1 / 0.512e3 * t1153 * t2084 - 0.3e1 / 0.16e2 * t1153 * t2087 - t2065 * t1157 / … in func_pol()
5475 …t765 / 0.8e1 + 0.3e1 / 0.512e3 * t1410 * t2084 - 0.3e1 / 0.16e2 * t1410 * t2087 + t2065 * t1413 / … in func_pol()
6681 …4e1 * t5986 * t760 * t31 * t336 - 0.9e1 / 0.8e1 * t2065 * t2087 - 0.9e1 / 0.8e1 * t2079 * t2087 - … in func_pol()
6972 …1 - 0.3e1 / 0.16e2 * t5986 * t491 * t36 * t760 - 0.9e1 / 0.16e2 * t2934 * t2087 + 0.3e1 / 0.16e2 *… in func_pol()
7171 … * t763 * t8802 + 0.9e1 / 0.8e1 * t763 * t8805 - 0.9e1 / 0.16e2 * t3387 * t2087 - 0.27e2 / 0.512e3… in func_pol()
7348 …2 * t3856 * t2087 + t2945 * t2961 / 0.2e1 + 0.21e2 / 0.256e3 * t1153 * t7748 - 0.3e1 / 0.4e1 * t11… in func_pol()
7552 …t10994 = t7794 * t1413 / 0.16e2 - 0.3e1 / 0.16e2 * t4227 * t2087 + t2934 * t10957 * t281 / 0.8e1 +… in func_pol()
[all …]
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| H A D | mgga_x_mbeef.c | 2180 t2088 = t35 * t2087; in func_unpol()
2246 t2203 = t36 * t2087; in func_unpol()
2248 t2207 = t34 * t2087; in func_unpol()
2291 t2368 = t154 * t2087; in func_unpol()
2295 t2414 = t2087 * t101; in func_unpol()
2299 t2457 = t2087 * t125; in func_unpol()
2404 t2870 = t2087 * t89; in func_unpol()
2412 t2902 = t2087 * t96; in func_unpol()
2416 t2947 = t2087 * t75; in func_unpol()
3612 t7723 = t2087 * t53; in func_unpol()
[all …]
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| H A D | mgga_x_m08.c | 1439 double t2065, t2066, t2071, t2072, t2081, t2082, t2087, t2088; in func_ferr() local
2114 t2087 = t68 * t1946; in func_ferr()
2115 t2088 = t2087 * t465; in func_ferr()
2461 t4738 = t2087 * tau[0]; in func_ferr()
2744 double t2074, t2075, t2076, t2079, t2080, t2083, t2084, t2087; in func_pol() local
3811 t2087 = t188 * t2074; in func_pol()
3812 t2088 = t2087 * tau[1]; in func_pol()
4977 …t5961 = -0.80e2 / 0.3e1 * t487 * t2087 - 0.20e2 * t181 * t2093 - 0.60e2 * t494 * t2093 - 0.40e2 * … in func_pol()
4980 …t2087 - 0.40e2 * t1437 * t2093 - 0.200e3 / 0.3e1 * t1444 * t2101 - 0.100e3 * t1379 * t2109 - 0.140… in func_pol()
5006 …0e3 * t1647 * t2075 - 0.1100e4 / 0.3e1 * t1654 * t2079 - 0.20e2 * t1588 * t2087 - 0.40e2 * t1663 *… in func_pol()
[all …]
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| H A D | mgga_x_pbe_gx.c | 119 double t2047, t2049, t2062, t2065, t2077, t2084, t2087, t2092; in func_unpol() local
981 t2087 = t906 * t102; in func_unpol()
989 … / 0.9e1 * t387 * t649 + 0.25e2 / 0.27e2 * t2084 * t247 - 0.5e1 / 0.3e1 * t2087 * t81 - 0.5e1 / 0.… in func_unpol()
1019 t2372 = t2087 * t10; in func_unpol()
2520 double t2070, t2074, t2077, t2079, t2082, t2087, t2088, t2089; in func_pol() local
4037 t2087 = 0.0; in func_pol()
4038 t2088 = t99 * t2087; in func_pol()
5728 t5875 = t252 * t2087; in func_pol()
5989 t7583 = t334 * t2087; in func_pol()
6141 t8402 = t400 * t2087; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_2d_b86.c | 528 double t2071, t2075, t2076, t2078, t2082, t2083, t2085, t2087; in func_pol() local
1942 t2087 = t540 * t279; in func_pol()
1946 …+ 0.95873864311437321350e-7 * t2083 - 0.53710848353746398520e-3 * t2085 + t2087 + t2088 / 0.2e1 + … in func_pol()
1993 …2159293431196406e-6 * t2083 - 0.16113254506123919556e-2 * t2085 + 0.3e1 * t2087 + 0.3e1 / 0.2e1 * … in func_pol()
2023 …t2763 = -0.32226509012247839111e-2 * t2085 + 0.6e1 * t2087 + 0.3e1 * t2088 + 0.3e1 * t2092 - 0.6e1… in func_pol()
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| H A D | gga_c_lyp.c | 519 double t2070, t2075, t2077, t2078, t2087, t2088, t2093, t2098; in func_pol() local
1598 t2087 = t161 * t783; in func_pol()
1599 t2088 = t2087 * t162; in func_pol()
1685 t2393 = t2087 * t249; in func_pol()
2375 …75 * t2088 - 0.8e1 / 0.3e1 * t520 * t4678 * t162 - 0.4e1 / 0.3e1 * t520 * t2087 * t426 + 0.64e2 / … in func_pol()
2532 …28e3 / 0.3e1 * t1583 * t2139 - 0.20e2 / 0.3e1 * t520 * t4837 * t2131 + 0.8e1 * t520 * t2087 * t355; in func_pol()
2584 … t4192 * t2232 - 0.160e3 / 0.27e2 * t541 * t4202 * t2208 - 0.8e1 * t520 * t2087 * t789 - 0.40e2 / … in func_pol()
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| H A D | gga_c_p86.c | 944 double t2078, t2087, t2090, t2091, t2094, t2102, t2104, t2105; in func_pol() local
2215 t2087 = t754 * t183 * t536; in func_pol()
2224 …* t1763 - 0.3e1 / 0.2e1 * t1765 - 0.9e1 / 0.2e1 * t1767 - 0.3e1 / 0.2e1 * t2087 + t2091 + 0.9e1 / … in func_pol()
2264 …+ t1760 + t1762 - 0.3e1 * t1763 - t1765 / 0.2e1 - 0.3e1 * t1767 - 0.3e1 * t2087 + 0.6e1 * t2090 + … in func_pol()
2310 …t2643 = -0.3e1 / 0.2e1 * t1763 - 0.3e1 / 0.2e1 * t1767 - 0.9e1 / 0.2e1 * t2087 + t2091 - t2105 + t… in func_pol()
2334 …- 0.6e1 * t2048 - 0.2e1 * t2060 - t1721 + t1735 + t1760 + t1762 - 0.6e1 * t2087 + 0.14e2 * t2374 -… in func_pol()
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| H A D | gga_c_chachiyo.c | 782 double t2074, t2077, t2079, t2081, t2086, t2087, t2091, t2094; in func_pol() local
1709 t2087 = 0.7e1 / 0.1152e4 * t2086; in func_pol()
1718 …t2109 = t2081 / 0.48e2 + t2087 - t2034 + 0.7e1 / 0.2304e4 * t2045 + 0.7e1 / 0.2304e4 * t2049 + 0.7… in func_pol()
1738 …2003 + t2008 + 0.49e2 / 0.55296e5 * t2018 + t2028 - t2072 + t2117 + t2134 / 0.48e2 + t2087 - t2034; in func_pol()
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| H A D | gga_k_apbeint.c | 754 double t2069, t2072, t2074, t2079, t2084, t2087, t2090, t2092; in func_pol() local
1806 t2087 = t143 * t338 * t902; in func_pol()
1809 … + 0.2e1 / 0.3e1 * t251 * t1776 + 0.2e1 / 0.3e1 * t2084 + 0.2e1 / 0.3e1 * t2087 + 0.2e1 / 0.3e1 * … in func_pol()
1833 …* t2066 - t2069 / 0.3e1 - 0.2e1 / 0.9e1 * t2072 - t2079 / 0.3e1 + t2084 + t2087 + 0.4e1 / 0.9e1 * … in func_pol()
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| H A D | gga_x_sfat.c | 1604 double t2078, t2082, t2083, t2084, t2087, t2090, t2091, t2094; in func_ferr() local
2400 t2087 = t626 * t1672; in func_ferr()
2422 …t2154 = t2076 - 0.54e2 * t623 * t2078 + 0.720e3 * t2082 * t2084 - 0.288e3 * t2082 * t2087 + 0.288e… in func_ferr()
3048 double t2042, t2070, t2072, t2079, t2081, t2085, t2087, t2089; in func_pol() local
4345 t2087 = t801 * t801; in func_pol()
4346 t2089 = t88 * t26 * t2085 * t2087; in func_pol()
4881 t3467 = t1342 * t3465 * t2087; in func_pol()
5882 t6394 = t6393 * t2087; in func_pol()
5895 t6483 = t2087 * t801; in func_pol()
6223 … t9066 / 0.8e1 + 0.18e2 * t1329 * t3507 - 0.18e2 * t504 * t1342 * t9071 * t2087 - 0.9e1 / 0.16e2 *… in func_pol()
[all …]
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| H A D | gga_x_s12.c | 772 double t2020, t2036, t2052, t2064, t2076, t2087, t2102, t2105; in func_pol() local
1763 …t2087 = -t809 / 0.3e1 - t813 - t819 + 0.2e1 * t824 - t828 - t832 - t835 / 0.9e1 - t838 / 0.3e1 - t… in func_pol()
1766 v4rho4[2] = t2064 + t2076 + t2087 + t2102; in func_pol()
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| H A D | gga_c_gaploc.c | 1341 t2088 = t5 * t2087; in func_unpol()
2308 t4835 = t541 * t2087; in func_unpol()
9270 t2087 = t2086 * t774; in func_pol()
9517 t2584 = t2087 * t913; in func_pol()
11683 t7576 = t2087 * t2579; in func_pol()
11761 t7734 = t2087 * t2642; in func_pol()
11851 t7941 = t2087 * t2587; in func_pol()
12825 t10241 = t2087 * t3265; in func_pol()
13462 t11194 = t2087 * t3458; in func_pol()
16473 t23017 = t2087 * t7927; in func_pol()
[all …]
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| H A D | gga_c_cs1.c | 726 double t2014, t2023, t2027, t2047, t2076, t2087, t2108, t2112; in func_pol() local
1951 …t2087 = 0.26175000000000000000e0 * t1756 - t1759 + t1775 + 0.60900499999999999997e-1 * t1776 + 0.7… in func_pol()
1953 …t2112 = t3 * (t2047 + t2076 + t2087 + t2108) - t955 + t960 + t965 + t969 + t971 - t974 + t976 - t9… in func_pol()
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| H A D | gga_x_htbs.c | 1150 double t2071, t2072, t2084, t2087, t2088, t2091, t2093, t2104; in func_pol() local
2149 t2087 = t86 * t777; in func_pol()
2156 … + 0.55494314616508503408e-3 * t540 * t2084 - 0.19443171799379030325e-6 * t2087 * t2088 + t2091 * … in func_pol()
2697 … t546 * t2261 + 0.64641600e0 * t233 * t4753 - 0.58329515398137090974e-6 * t2087 * t66 + 0.19392480… in func_pol()
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| H A D | gga_x_bpccac.c | 757 double t2082, t2086, t2087, t2091, t2103, t2117, t2159, t2197; in func_ferr() local
1281 t2087 = t2086 * t27; in func_ferr()
1283 …56250000000000e-1 * t59 * t2082 * t62 + 0.59822094531249999998e-1 * t23 * t2087 * t125 + 0.5049265… in func_ferr()
1285 …25 * t968 - 0.15e2 / 0.16e2 * t97 * t2082 * t14 + 0.15e2 / 0.8e1 * t226 * t2087 * t188 - 0.3e1 / 0… in func_ferr()
1289 …60 * t385 * t209 + t2159 + 0.3e1 * t1700 * t393 - 0.15e2 / 0.16e2 * t97 * t2087 * t14 - 0.85149254… in func_ferr()
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| H A D | gga_c_acggap.c | 7198 t2087 = t591 * t865; in func_pol()
7199 t2088 = t2087 * t2080; in func_pol()
9577 t7283 = t2087 * t7273; in func_pol()
10035 t7889 = t2087 * t7220; in func_pol()
10206 t8331 = t2087 * t8327; in func_pol()
11111 t10234 = t2087 * t2430; in func_pol()
11120 t10252 = t2087 * t2476; in func_pol()
11202 t10420 = t2087 * t10416; in func_pol()
11289 t10600 = t2087 * t2510; in func_pol()
15468 t29814 = t2087 * t7233; in func_pol()
[all …]
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| H A D | gga_x_am05.c | 891 double t2074, t2078, t2081, t2084, t2087, t2101, t2117, t2122; in func_ferr() local
1508 t2087 = t553 * t1171; in func_ferr()
1509 …t2078 / 0.162e3 + t552 * t2081 / 0.162e3 + t547 * t2084 / 0.81e2 - t552 * t2087 / 0.81e2 + t792 * … in func_ferr()
1535 …1 / 0.144e3 * t2074 * t1923 * t450 - t964 * t366 * t968 / 0.96e2 + t795 * t2087 / 0.72e2 - t795 * … in func_ferr()
1549 … / 0.6e1 - t972 * t2078 / 0.192e3 + t960 * t360 * t1163 / 0.48e2 - t976 * t2087 / 0.96e2 + t972 * … in func_ferr()
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