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Searched refs:t1871 (Results 1 – 25 of 89) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_k_lc94.c2009 t1871 = t376 * t376; in func_pol()
2011 t1875 = 0.256e3 / 0.81e2 * t45 * t1871 * t1872; in func_pol()
2151 t2659 = 0.256e3 / 0.81e2 * t92 * t1871 * t2656; in func_pol()
2181 t2855 = 0.32e2 / 0.27e2 * t45 * t1871 * t868 * t268; in func_pol()
2253 t3169 = 0.32e2 / 0.27e2 * t92 * t1871 * t1188 * t300; in func_pol()
2268 t3284 = 0.4e1 / 0.9e1 * t45 * t1871 * t377 * t676; in func_pol()
2336 t3492 = 0.4e1 / 0.9e1 * t92 * t1871 * t522 * t717; in func_pol()
2347 t3553 = t45 * t1871 * t148 * t1620 / 0.6e1; in func_pol()
2411 t3654 = t92 * t1871 * t220 * t1674 / 0.6e1; in func_pol()
2421 t3743 = t45 * t1871 * t3740 / 0.16e2; in func_pol()
[all …]
H A Dgga_c_op_xalpha.c361 double t1863, t1865, t1867, t1869, t1871, t1891, t1894, t1917; in func_pol() local
1108 t1871 = t763 * t54; in func_pol()
1109 …* t1867 - 0.48185179753086419754e-1 * t1869 - 0.36138884814814814815e-1 * t1871 * t60 + 0.14455553… in func_pol()
1135 …264 + 0.12849381267489711934e0 * t497 * t783 - 0.14455553925925925926e0 * t1871 * t90 - 0.48185179… in func_pol()
H A Dgga_c_am05.c888 double t1857, t1858, t1861, t1862, t1865, t1868, t1871, t1877; in func_pol() local
1883 t1871 = 0.57895126195293126241e3 * t790 * t1858 * t346; in func_pol()
1909 …t1962 = t1857 + t1861 - t1865 + t1868 - t1871 + t1877 - t1917 - t1925 + 0.19964560303604640732e6 *… in func_pol()
1943 …73245789224026180216e-3 * t2094 - t1861 + t1865 + t2099 - t2102 - t1868 + t1871 + t2104 - t1877 + … in func_pol()
2081 …t2503 = 0.10389515463408878255e3 * t2487 - t1861 + t1865 + t2099 - t2102 - t1868 + t1871 + 0.3e1 *… in func_pol()
2126 …0 * t2671 * t81 + 0.8e1 * t2674 + 0.8e1 * t2676 + t2099 - t2102 - t1868 + t1871 + 0.19751673498613… in func_pol()
2157 …t2870 = t40 * t2859 * t81 - t1861 + t1865 - t1868 + t1871 + t2099 - t2102 - t2494 + 0.72e2 * t2495… in func_pol()
2179 …t2999 = 0.6e1 * t2617 - 0.48e2 * t2620 - 0.48e2 * t2676 + t2099 - t2102 - t1868 + t1871 - t2104 - … in func_pol()
H A Dgga_x_ncap.c110 double t1852, t1853, t1859, t1860, t1861, t1867, t1868, t1871; in func_unpol() local
835 …t1871 = -0.16e2 / 0.9e1 * t619 * t1827 + 0.112e3 / 0.27e2 * t1823 * t623 - 0.28e2 / 0.9e1 * t1832 … in func_unpol()
1172 double t1871, t1902, t1903, t1907, t1908, t1916, t1920, t1921; in func_ferr() local
1860 …t1871 = -0.768e3 * t207 * t212 * t254 - 0.32e2 / 0.81e2 * t607 * t1842 + 0.32e2 / 0.81e2 * t607 * … in func_ferr()
2223 double t1863, t1870, t1871, t1872, t1875, t1877, t1880, t1881; in func_pol() local
3350 t1871 = t426 * t644; in func_pol()
3351 t1872 = t1777 * t1871; in func_pol()
3608 t2541 = t2529 * t1871; in func_pol()
3735 t2915 = t2904 * t1871; in func_pol()
3869 t3273 = t3272 * t1871; in func_pol()
[all …]
H A Dgga_x_s12.c770 double t1868, t1871, t1874, t1879, t1882, t1888, t1889, t1913; in func_pol() local
1743 t1871 = t83 * t665 * t363; in func_pol()
1749 …3e1 - t294 * t84 * t416 * t295 / 0.6e1 - t1865 / 0.3e1 + t1868 / 0.27e2 + t1871 / 0.9e1 + t1874 / … in func_pol()
1778 …- t1852 / 0.2e1 + t1855 - t1858 / 0.2e1 - t1865 / 0.2e1 + t1868 / 0.9e1 + t1871 / 0.3e1 + t1874 / … in func_pol()
1813 …t2486 = 0.4e1 / 0.27e2 * t2126 + 0.2e1 / 0.9e1 * t1868 + 0.2e1 / 0.3e1 * t1871 + 0.2e1 / 0.9e1 * t… in func_pol()
H A Dgga_x_airy.c1133 double t1868, t1869, t1870, t1871, t1875, t1876, t1877, t1886; in func_pol() local
2175 t1871 = t1870 * t682; in func_pol()
2179 … * t484 * t1871 - 0.54544192889124865764e-1 * t177 * t1877 + 0.17916037506376413503e1 * t1225 * t1… in func_pol()
2189 …* t455 * t1871 + 0.21677487924809524194e-6 * t466 * t1871 + 0.59244851414234686812e-4 * t162 * t18… in func_pol()
H A Dgga_x_sfat.c1596 double t1865, t1871, t1873, t1877, t1892, t1896, t1900, t1903; in func_ferr() local
2333 t1871 = t625 * t732; in func_ferr()
2334 t1873 = t595 * t1871 * t128; in func_ferr()
2393 t2073 = t1871 * t2072; in func_ferr()
2402 t2091 = t1871 * t2090; in func_ferr()
2745 t4499 = t595 * t1871 * t351; in func_ferr()
2788 t5073 = t14 * t1871 * t304; in func_ferr()
2847 t6021 = t595 * t1871 * t577; in func_ferr()
2894 t6547 = t595 * t1871 * t764; in func_ferr()
4261 t1871 = t1317 * t1556; in func_pol()
[all …]
H A Dgga_x_mpbe.c781 double t1843, t1845, t1846, t1847, t1857, t1871, t1877, t1880; in func_pol() local
1726 t1871 = t462 * t951 * t793; in func_pol()
1727 …t123 * t900 + 0.2e1 / 0.3e1 * t946 * t463 * t418 * t427 - 0.2e1 / 0.3e1 * t1871 - 0.2e1 / 0.3e1 * … in func_pol()
1769 …6 / 0.9e1 - 0.5e1 / 0.9e1 * t1824 + t1837 / 0.27e2 + t1841 / 0.9e1 - t1857 / 0.6e1 - t1871 / 0.6e1; in func_pol()
H A Dgga_k_thakkar.c791 double t1843, t1846, t1847, t1868, t1871, t1877, t1881, t1887; in func_pol() local
1744 t1871 = t316 * t785 * t855; in func_pol()
1745 …t684 * t360 * t7 * t317 / 0.3e1 + 0.2e1 / 0.3e1 * t1868 + 0.5e1 / 0.3e1 * t1871 + t235 * t635 * t3… in func_pol()
1782 … - 0.4e1 / 0.27e2 * t1843 - 0.8e1 / 0.27e2 * t1846 + 0.4e1 / 0.9e1 * t1868 - 0.8e1 / 0.9e1 * t1871; in func_pol()
H A Dgga_x_ev93.c915 double t1864, t1865, t1866, t1867, t1869, t1870, t1871, t1873; in func_pol() local
2212 t1871 = t633 * t644; in func_pol()
2213 t1873 = t217 * t171 * t1871; in func_pol()
2850 t5365 = t217 * t380 * t1871; in func_pol()
2884 …1882 * t518 + 0.9e1 / 0.2e1 * t217 * t433 * t1867 - 0.3e1 * t217 * t433 * t1871 - t5304 / 0.4e1 - … in func_pol()
2974 …60 + 0.27e2 / 0.4e1 * t217 * t581 * t1867 - 0.9e1 / 0.2e1 * t217 * t581 * t1871 + 0.3e1 / 0.2e1 * … in func_pol()
H A Dgga_x_wc.c738 double t1825, t1828, t1847, t1849, t1851, t1854, t1861, t1871; in func_pol() local
1755 t1871 = t259 * t161; in func_pol()
1756 t1873 = t383 * t1871 * t385; in func_pol()
1813 t2185 = t383 * t1871 * t412; in func_pol()
H A Dgga_c_lm.c828 double t1869, t1871, t1874, t1875, t1877, t1885, t1887, t1889; in func_pol() local
1993 t1871 = t401 * t874; in func_pol()
2013 …t1921 = 0.16e2 * t1869 + 0.9e1 / 0.2e1 * t1871 - t1874 + 0.16e2 * t1875 - 0.2e1 * t1877 + 0.3e1 * … in func_pol()
2107 …0.22e2 * t1861 + t1865 - 0.6e1 * t1866 + 0.12e2 * t1869 + 0.9e1 / 0.4e1 * t1871 - t1874 + 0.8e1 * … in func_pol()
2184 …1 * t2546 - 0.7e1 / 0.36e2 * t45 * (t2580 + t2616) + 0.8e1 * t1869 + 0.3e1 / 0.4e1 * t1871 - t1874; in func_pol()
H A Dgga_x_2d_b88.c654 double t1772, t1779, t1784, t1813, t1830, t1844, t1857, t1871; in func_pol() local
1583 …t1871 = -0.16e2 * t668 - 0.8e1 * t671 - t676 - 0.8e1 * t679 - 0.2e1 * t568 + 0.6e1 * t575 - 0.2e1 … in func_pol()
1586 v4rho4[2] = t1844 + t1857 + t1871 + t1886; in func_pol()
H A Dgga_xc_b97.c1693 double t1863, t1864, t1865, t1866, t1869, t1870, t1871, t1872; in func_pol() local
3410 t1871 = t1870 * t188; in func_pol()
3411 t1872 = t449 * t1871; in func_pol()
4670 t4575 = t1300 * t1871; in func_pol()
4861 t4942 = t1155 * t1871; in func_pol()
5064 t5489 = t1784 * t1871; in func_pol()
5383 t6337 = t1781 * t1871; in func_pol()
7099 …247024766806046961e2 * t4301 * t4577 + 0.15000000000000000000e1 * t4156 * t1871 + 0.50000000000000… in func_pol()
7103 …48 * t1871 + 0.90000000000000000000e1 * t1054 * t1870 * t4724 + 0.15000000000000000000e1 * t1155 *… in func_pol()
7542 …t10822 * t2264 + 0.20000000000000000000e1 * t4755 * t1871 + 0.20000000000000000000e1 * t4758 * t18… in func_pol()
[all …]
H A Dgga_x_pw91.c1010 double t1871, t1874, t1877, t1880, t1885, t1894, t1895, t1901; in func_pol() local
2065 t1871 = 0.176e3 / 0.9e1 * t49 * t388 * t1862; in func_pol()
2076 …t1871 - t1874) * t63 - 0.4e1 * t1877 * t181 + 0.12e2 * t1880 * t404 - 0.6e1 * t925 * t427 - 0.24e2… in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_c_m08.c119 double t1861, t1863, t1864, t1866, t1867, t1868, t1870, t1871; in func_unpol() local
1006 t1871 = t1870 * t791; in func_unpol()
1986 double t1871, t1874, t1875, t1876, t1878, t1883, t1884, t1885; in func_ferr() local
2819 t1874 = t1667 + t1709 + t1739 + t1767 + t1795 + t1820 + t1846 + t1871; in func_ferr()
3879 double t1871, t1874, t1877, t1880, t1881, t1884, t1887, t1890; in func_pol() local
5846 t1871 = t324 * t74; in func_pol()
7526 … 0.80e2 * t1868 * t6939 + 0.40e2 * t1868 * t6947 + 0.200e3 * t1871 * t6939 + 0.100e3 * t1871 * t69… in func_pol()
8124 …68 * t9527 - 0.1000e4 / 0.3e1 * t1871 * t9527 - 0.25e2 / 0.3e1 * t853 * t9530 + 0.40e2 * t1868 * t… in func_pol()
10304 …11e2 * t102 * t22514 + 0.400e3 * t1824 * t21851 + 0.100e3 * t1871 * t21851 + 0.300e3 * t1871 * t21… in func_pol()
10880 …40e2 * t1865 * t27777 + 0.40e2 * t1868 * t27777 + 0.300e3 * t1871 * t27715 + 0.300e3 * t1871 * t27… in func_pol()
[all …]
H A Dmgga_x_revtm.c2394 double t1840, t1843, t1848, t1860, t1865, t1868, t1871, t1874; in func_ferr() local
3214 t1871 = t361 * t309; in func_ferr()
4663 double t1868, t1870, t1871, t1874, t1875, t1883, t1886, t1890; in func_pol() local
5978 t1871 = t556 * t556; in func_pol()
5982 …* t1048 * t1871 - 0.10759796184905179200e-2 * t1874 * t1875 - 0.35684620164609053498e-1 * t39 * t1… in func_pol()
7079 t4836 = t2927 * t1871; in func_pol()
7085 t4860 = t1871 * t391; in func_pol()
7649 t6433 = t1871 * t556; in func_pol()
7876 t6867 = t39 * t1081 * t1871; in func_pol()
9967 t18799 = t1871 * t130; in func_pol()
[all …]
H A Dmgga_x_gx.c2391 double t1860, t1862, t1863, t1865, t1866, t1868, t1869, t1871; in func_pol() local
3616 t1871 = t64 * t1371; in func_pol()
3619 t1874 = t1871 * t1873; in func_pol()
3809 …81e2 * t350 * t1865 + 0.50e2 / 0.81e2 * t900 * t1868 - 0.500e3 / 0.81e2 * t1871 * t2208 - 0.500e3 … in func_pol()
3908 t2525 = t1871 * t2514; in func_pol()
4067 t2706 = t1871 * t2698; in func_pol()
4205 …t2875 = -0.500e3 / 0.243e3 * t1084 - 0.500e3 / 0.81e2 * t1161 * t2522 - 0.500e3 / 0.81e2 * t1871 *… in func_pol()
4889 …0.1250e4 / 0.729e3 * t4694 * t4695 - 0.500e3 / 0.81e2 * t1871 * t4699 + 0.125e3 / 0.54e2 * t1871 *… in func_pol()
5050 …* t900 * t4719 + 0.10000e5 / 0.729e3 * t5497 * t4695 - 0.500e3 / 0.27e2 * t1871 * t2207 * t1334 + … in func_pol()
5150 …6e4 * t64 * t3443 * t987 * t6099 + 0.250e3 / 0.243e3 * t1871 * t6034 - 0.125e3 / 0.1296e4 * t1871 … in func_pol()
[all …]
H A Dmgga_c_m06l.c8356 t1963 = t697 * t1871; in func_pol()
8362 t1979 = t706 * t1871; in func_pol()
8369 t1996 = t715 * t1871; in func_pol()
11432 t7458 = t1871 * t285; in func_pol()
13278 t10830 = t323 * t1871; in func_pol()
13432 t11120 = t392 * t1871; in func_pol()
13443 t11150 = t403 * t1871; in func_pol()
13548 t11339 = t1871 * t148; in func_pol()
14558 t13141 = t1871 * t353; in func_pol()
19012 t28152 = t1871 * t293; in func_pol()
[all …]
H A Dmgga_x_scanl.c6844 t1871 = t101 * t618; in func_ferr()
6846 t1873 = t1871 * t1872; in func_ferr()
6847 t1876 = t1871 * t1821; in func_ferr()
6982 t2280 = t1871 * t2279; in func_ferr()
6985 t2285 = t1871 * t2284; in func_ferr()
7165 t2821 = t1871 * t2812; in func_ferr()
7346 t3472 = t1871 * t3471; in func_ferr()
7355 t3497 = t1871 * t3489; in func_ferr()
7465 t3843 = t1871 * t3835; in func_ferr()
7524 t4067 = t236 * t1871; in func_ferr()
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_pbe.F1544 t1830, t1831, t1865, t187, t1871, t1876, t1888, t190, t1901, t191 local
2414 t1871 = tnorm_drho**2
2415 t1876 = A*t1871
2421 … t101*t1871*t113*t119 + 0.10e2_dp*t310*t1876*t119 - &
2424 … 0.2e1_dp*t1876 + 0.12e2_dp*t953*t1871))*t325 - t110*t1901 &
H A Dxc_xbecke88_lr_adiabatic.F312 t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & local
1319 t1871 = 2*t147*t393*t672
1347 *t1854 + t1858 + t1861 + t1864 - t1868 + t1871 + t1874 &
1419 t1864 - t1868 + t1871 + t1874 + 0.3333333334e0_dp*t170*t27*t2042 &
3091 t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, t1884, & local
4095 t1871 = 2*t147*t393*t672
4123 *t1854 + t1858 + t1861 + t1864 - t1868 + t1871 + t1874 &
4195 t1864 - t1868 + t1871 + t1874 + 0.3333333334e0_dp*t170*t27*t2042 &
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_pbe.F1544 t1830, t1831, t1865, t187, t1871, t1876, t1888, t190, t1901, t191 local
2414 t1871 = tnorm_drho**2
2415 t1876 = A*t1871
2421 … t101*t1871*t113*t119 + 0.10e2_dp*t310*t1876*t119 - &
2424 … 0.2e1_dp*t1876 + 0.12e2_dp*t953*t1871))*t325 - t110*t1901 &
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_vwn.c840 double t1847, t1851, t1855, t1858, t1871, t1873, t1877, t1881; in func_pol() local
1863 t1871 = 0.1e1 / t1115 / t82; in func_pol()
1878 … t110 * t1108 * t1122 + t110 * t357 * t1129 / 0.3e1 + 0.6e1 * t110 * t9 * t1871 * t1873 - 0.9e1 * … in func_pol()
1951 …1 * t384 + 0.8e1 * t443 * t1885 - 0.36e2 * t1290 * t1877 + 0.24e2 * t95 * t1871 * t1873 + 0.6e1 * … in func_pol()
H A Dlda_c_vwn_2.c829 double t1846, t1849, t1852, t1862, t1871, t1872, t1873, t1874; in func_pol() local
1819 t1871 = 0.1e1 / t549; in func_pol()
1820 t1872 = t1871 * t164; in func_pol()
2259 …244423704918215444e1 * t1924 * t2565 * t367 + 0.55185098770492564348e-1 * t1871 * t2 * t252 * t367… in func_pol()

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