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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_x_n12.c73 double t1613, t1647, t1681, t1683, t1709, t1726, t1729, t1761; in func_unpol() local
471 t1709 = t145 * t29 * t9; in func_unpol()
473 …000000002e-6 * t13 * t331 * t1709 + 0.13981013333333333335e-8 * t375 * t348 + 0.214084266666666666… in func_unpol()
474 …t1709 + 0.13981013333333333335e-8 * t427 * t348 + 0.21617777777777777778e-2 * t626 * t863 - 0.1865… in func_unpol()
475 …t1709 + 0.13981013333333333335e-8 * t404 * t348 + 0.21617777777777777778e-2 * t606 * t863 - 0.1865… in func_unpol()
476 …t1709 + 0.13981013333333333335e-8 * t319 * t348 + 0.21617777777777777778e-2 * t586 * t863 - 0.1865… in func_unpol()
567 double t1620, t1665, t1678, t1706, t1709, t1743, t1777, t1802; in func_ferr() local
1080 double t1705, t1707, t1709, t1710, t1711, t1713, t1714, t1715; in func_pol() local
1968 t1709 = t7 * t331 * t1707; in func_pol()
1969 t1710 = 0.3e1 / 0.2e1 * t1709; in func_pol()
[all …]
H A Dgga_x_c09x.c569 double t1664, t1676, t1684, t1686, t1703, t1706, t1709, t1715; in func_pol() local
1426 t1709 = t7 * t534 * t356; in func_pol()
1427 … 0.2e1 - t7 * t68 * t107 * t748 - t1703 / 0.9e1 + 0.2e1 / 0.9e1 * t1706 + t1709 / 0.9e1 - t7 * t26… in func_pol()
1458 … t7 * t68 * t39 * t1928 / 0.2e1 - t1703 / 0.6e1 + 0.2e1 / 0.3e1 * t1706 + t1709 / 0.3e1 - t1718 / … in func_pol()
1481 …- 0.2e1 * t1955 - 0.2e1 * t1958 + 0.4e1 / 0.3e1 * t1706 + 0.2e1 / 0.3e1 * t1709 + 0.2e1 / 0.3e1 * … in func_pol()
H A Dgga_c_w94.c536 double t1701, t1703, t1709, t1712, t1715, t1721, t1724, t1728; in func_pol() local
1395 t1709 = t350 * t554 * t440; in func_pol()
1406 …0.25e2 / 0.6e1 * t1703 - 0.25e2 / 0.12e2 * t323 * t547 * t1219 + 0.10e2 * t1709 + 0.5e1 * t1712 + … in func_pol()
1484 ….27e2 * t115 * t1745 * t1909 + 0.25e2 / 0.18e2 * t1703 + 0.20e2 / 0.3e1 * t1709 + 0.5e1 / 0.3e1 * … in func_pol()
1533 …1918 + 0.10e2 / 0.3e1 * t1921 - t1925 - 0.10e2 * t1938 + 0.10e2 / 0.3e1 * t1709 + 0.5e1 / 0.3e1 * … in func_pol()
H A Dgga_k_mpbe.c755 double t1707, t1709, t1712, t1714, t1715, t1717, t1718, t1720; in func_pol() local
1622 t1709 = t6 * t336 * t399; in func_pol()
1642 …t1779 = -0.2e1 / 0.5e1 * t1709 + 0.4e1 / 0.5e1 * t1712 + 0.16e2 / 0.27e2 * t1715 + 0.16e2 / 0.27e2… in func_pol()
1684 …t1948 = -0.2e1 / 0.3e1 * t1610 - t1613 / 0.3e1 - t1618 - t1622 + 0.4e1 / 0.15e2 * t1624 - t1709 / … in func_pol()
1721 … 0.9e1 * t1610 - t1613 / 0.9e1 - t1618 - t1622 + 0.8e1 / 0.45e2 * t1624 - t1709 / 0.15e2 + 0.8e1 /… in func_pol()
H A Dgga_c_scan_e0.c2945 t1709 = t672 * t109; in func_pol()
2946 t1710 = t1708 * t1709; in func_pol()
3198 t2202 = t1709 * t619; in func_pol()
3361 t2607 = t1709 * t281; in func_pol()
3483 t2936 = t270 * t271 * t2928 * t1709; in func_pol()
4178 t4353 = t4255 * t1709; in func_pol()
4284 t4674 = t1709 * t240; in func_pol()
4286 t4688 = t1709 * t718; in func_pol()
4517 t5383 = t340 * t1709; in func_pol()
4885 t6861 = t979 * t1709; in func_pol()
[all …]
H A Dgga_x_rpbe.c515 double t1654, t1655, t1661, t1662, t1668, t1692, t1706, t1709; in func_pol() local
1524 t1709 = t578 * t583 * t713; in func_pol()
1529 …t1738 = 0.2e1 / 0.27e2 * t1709 + 0.7e1 / 0.9e1 * t1712 + t578 * t236 * t294 * t150 / 0.9e1 - t1719… in func_pol()
1572 …0.6e1 - t235 * t587 * t8 * t294 / 0.2e1 - t2040 / 0.6e1 + t1692 / 0.3e1 + t1709 / 0.9e1 - t1712 / … in func_pol()
H A Dgga_c_bmk.c1336 double t1705, t1706, t1709, t1712, t1715, t1718, t1721, t1724; in func_pol() local
2789 t1709 = t530 * t258; in func_pol()
2797 … + 0.12800000000000000000e-3 * t1706 * t689 - 0.15360000000000000000e-5 * t1709 * t1702 + 0.345600… in func_pol()
3007 …00000000000000000e-4 * t1705 * t2134 * t125 + 0.57600000000000000000e-6 * t1709 * t2192 - 0.129600… in func_pol()
3024 …000000000000000000e-4 * t2232 * t2233 * t53 + 0.57600000000000000000e-6 * t1709 * t2229 - 0.129600… in func_pol()
3906 …- 0.14080000000000000000e-5 * t1699 * t4276 + 0.56320000000000000000e-5 * t1709 * t4276 - 0.307200… in func_pol()
4311 …- 0.55296000000000000000e-7 * t4263 * t5217 + 0.56320000000000000000e-5 * t1709 * t5221 + 0.110592… in func_pol()
4713 …+ 0.52800000000000000000e-6 * t1699 * t6160 - 0.21120000000000000000e-5 * t1709 * t6160 + 0.475200… in func_pol()
4755 …t6308 = -0.34560000000000000000e-8 * t4257 * t6255 - 0.15360000000000000000e-5 * t1709 * t6250 + 0… in func_pol()
4796 … - 0.23040000000000000000e-5 * t6395 * t534 - 0.15360000000000000000e-5 * t1709 * t6377 + 0.345600… in func_pol()
[all …]
H A Dgga_x_b88.c720 double t1696, t1698, t1699, t1700, t1705, t1707, t1709, t1711; in func_pol() local
1612 t1709 = t305 * t250; in func_pol()
1613 t1711 = t7 * t1709 * t308; in func_pol()
1703 t2113 = t7 * t1709 * t388; in func_pol()
H A Dgga_k_meyer.c695 double t1709, t1739, t1745, t1756, t1782, t1824, t1829, t1836; in func_ferr() local
1153 …t1709 = t1670 * t1245 / 0.15552e5 - t311 * t183 * t561 / 0.2e1 - t311 * t71 * t566 / 0.2e1 + 0.3e1… in func_ferr()
1155 … + 0.3e1 / 0.10e2 * t50 * t5 * (0.5e1 / 0.72e2 * (t1569 + t1642 + t1675 + t1709) * sigma[0] * t42 … in func_ferr()
1293 double t1704, t1708, t1709, t1715, t1721, t1723, t1727, t1729; in func_pol() local
2229 t1709 = t1702 * t1708; in func_pol()
2234 …* t1683 * t84 + 0.5e1 / 0.648e3 * t20 * t515 + t1702 * t1704 / 0.1944e4 - t1709 / 0.3888e4 + t1301… in func_pol()
2816 … 0.3888e4 * t4156 * t1708 - t1721 / 0.1458e4 - 0.13e2 / 0.1944e4 * t1727 - t1709 / 0.2916e4 + t688; in func_pol()
H A Dgga_k_apbeint.c744 double t1682, t1688, t1694, t1696, t1699, t1702, t1708, t1709; in func_pol() local
1722 t1709 = t1708 * t139; in func_pol()
1723 t1710 = t102 * t1709; in func_pol()
1769 …t1898 = -t1838 - 0.2e1 * t1839 - 0.5e1 / 0.2e1 * t1843 + 0.3e1 / 0.2e1 * t87 * t1709 + t251 * t88 … in func_pol()
H A Dgga_c_gapc.c5444 t1709 = t1706 * t1708; in func_ferr()
5445 t1710 = t1705 * t1709; in func_ferr()
6783 t5077 = t5076 * t1709; in func_ferr()
6841 t5240 = t5239 * t1709; in func_ferr()
11059 t1709 = t632 * t349; in func_pol()
11749 t3075 = t3074 * t1709; in func_pol()
11752 t3079 = t3078 * t1709; in func_pol()
14619 t9424 = t9144 * t1709; in func_pol()
14705 t9559 = t9558 * t1709; in func_pol()
14710 t9566 = t9565 * t1709; in func_pol()
[all …]
H A Dgga_xc_th2.c468 double t1687, t1701, t1703, t1705, t1707, t1709, t1711, t1713; in func_pol() local
1247 t1709 = t636 * t160; in func_pol()
1251 …2 * t1705 + 0.12065760000000000000e2 * t1707 + 0.23341800000000000000e2 * t1709 - 0.17506350000000… in func_pol()
1364 …2 * t1705 + 0.36197280000000000000e2 * t1707 - 0.70025400000000000000e2 * t1709 - 0.52519050000000… in func_pol()
H A Dgga_c_wl.c452 double t1708, t1709, t1711, t1721, t1722, t1724, t1729, t1732; in func_pol() local
1565 t1709 = t1708 * t493; in func_pol()
1570 …98 + t1701 / 0.18e2 + t1703 * t34 * t36 * t118 / 0.12e2 - 0.2e1 / 0.9e1 * t1709 - 0.2e1 * t1711 * … in func_pol()
1635 …0 - 0.71122962962962962964e-1 * t1698 + t1701 / 0.27e2 - 0.4e1 / 0.27e2 * t1709 - 0.2e1 / 0.9e1 * … in func_pol()
H A Dgga_c_tca.c845 double t1695, t1696, t1697, t1698, t1707, t1709, t1712, t1714; in func_pol() local
1904 t1709 = t242 * t71; in func_pol()
1905 t1712 = t556 * t1709 * t88 * t146; in func_pol()
2132 t2481 = t776 * t277 * t278 * t1709; in func_pol()
H A Dgga_x_lag.c776 double t1707, t1708, t1709, t1710, t1711, t1712, t1713, t1714; in func_pol() local
2231 t1709 = t1708 * t1693; in func_pol()
2232 t1710 = t757 * t1709; in func_pol()
2235 t1713 = t764 * t1709; in func_pol()
2238 t1716 = t768 * t1709; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_vwn_4.c836 double t1707, t1709, t1711, t1713, t1717, t1721, t1728, t1730; in func_pol() local
1828 t1709 = 0.64601518076962494760e-3 * t756 * t368; in func_pol()
1841 …57 * t82 * t1 * t1760 - t1707 + 0.11655607162072802125e-2 * t455 * t856 + t1709 + t1711 + t1713 - … in func_pol()
1945 …t2376 = t1705 + t1707 - t1709 - t1711 - t1713 + t1717 + t1721 + t1730 + t1738 + t1741 + t2375 - t1… in func_pol()
2085 …t2932 = t1705 + t1707 - t1709 - t1711 - t1713 + t1717 + t1721 + t1730 + t1738 - t1741 + t2375 - t1… in func_pol()
2171 …t3158 = t1705 + t1707 - t1709 - t1711 - t1713 + t1717 + t1721 + t1730 + t1738 + t1741 + t2375 - t1… in func_pol()
2206 …t3389 = t1705 + t1707 - t1709 - t1711 - t1713 + t1717 + t1721 + t1730 + t1738 - t1741 + t2375 - t1… in func_pol()
2234 …t3559 = t99 * t3556 * t102 + t1705 + t1707 - t1709 - t1711 - t1713 + t1717 + t1721 + t1730 + t1738… in func_pol()
H A Dlda_c_vwn.c836 double t1704, t1705, t1706, t1707, t1708, t1709, t1716, t1718; in func_pol() local
1832 t1709 = 0.86135357435949993013e-3 * t911; in func_pol()
2060 …t2892 = t1701 + t1702 - t1703 - t1704 + t1705 + t1706 + t1707 + t1708 - t1709 + t7 * (t2395 + t241… in func_pol()
2157 … t2942 + t2950 + t3025 + t3054 + t3094 + t3115) + t1706 + t1707 + t1708 - t1709 - t2888 - t1633 - … in func_pol()
2171 …t3174 = t1708 - t1709 - t2888 - t1441 / 0.4e1 - t1443 / 0.4e1 - t1473 / 0.12e2 - t1475 / 0.6e1 - t… in func_pol()
2204 …3 - t1704 + t1705 - 0.24e2 * t1549 + 0.3e1 * t1577 + 0.6e1 * t1579 + t1706 + t1707 + t1708 - t1709; in func_pol()
2243 …t3630 = t1707 + t1708 - t1709 - t2888 - t1441 / 0.2e1 - t1443 / 0.2e1 - 0.96e2 * t1499 - 0.96e2 * … in func_pol()
H A Dlda_c_2d_amgb.c678 double t1687, t1692, t1700, t1706, t1707, t1709, t1711, t1719; in func_pol() local
1502 …t1709 = -t1099 + t1101 + t1103 - t1106 - t1108 - t1117 - t1122 + t1132 + t1135 + t1141 + t1146 - t… in func_pol()
1506 …v4rho4[4] = t1666 - t1305 - t1306 + t1308 - t1310 + t1311 - t1314 + t1 * (t1706 + t1707 + t1709 + … in func_pol()
H A Dlda_c_vwn_2.c820 double t1702, t1703, t1704, t1705, t1706, t1708, t1709, t1711; in func_pol() local
1749 t1709 = t1708 * t153; in func_pol()
1750 t1711 = t1706 * t1211 * t1709; in func_pol()
2196 t2927 = t2581 * t1709; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_gvt4.c1335 double t1706, t1708, t1709, t1710, t1712, t1714, t1716, t1718; in func_pol() local
2681 t1709 = 0.1e1 / t330; in func_pol()
2682 t1710 = t151 * t1709; in func_pol()
2683 t1712 = t814 * t1709; in func_pol()
2686 t1718 = t805 * t1709; in func_pol()
3720 t4210 = t1709 * t125; in func_pol()
3721 …t1709 * t125 - 0.24095842201891968701e-4 * t1690 - 0.312504027795128448e-6 * t1949 * t1709 + 0.156… in func_pol()
4218 …90630034743910560e-6 * t3263 * t1689 - 0.2343780208463463360e-5 * t2889 * t1709 + 0.87528940641109… in func_pol()
4406 …52627094073154581e-8 * t1952 * t4452 - 0.1562520138975642240e-5 * t3263 * t1709 - 0.31250402779512… in func_pol()
H A Dmgga_xc_b98.c1240 t1709 = t276 * t1708; in func_unpol()
4220 t1709 = t1708 * t1666; in func_ferr()
8057 t1709 = t657 * t424; in func_pol()
8058 t1710 = t1709 * t448; in func_pol()
8323 t2251 = t1709 * t672; in func_pol()
10336 t5689 = t1709 * t1124; in func_pol()
10741 t6736 = t1709 * t1706; in func_pol()
10855 t6940 = t1709 * t1719; in func_pol()
11188 t7678 = t1709 * t2263; in func_pol()
11197 t7688 = t1709 * t2267; in func_pol()
[all …]
H A Dmgga_x_rscan.c1687 t1709 = t177 * t606; in func_unpol()
1688 t1710 = t1709 * t67; in func_unpol()
1708 t1806 = t1709 * t275; in func_unpol()
1710 t1812 = t1709 * t249; in func_unpol()
1872 t2139 = t1709 * t476; in func_unpol()
1877 t2153 = t1709 * t2097; in func_unpol()
2800 t4587 = t1709 * t806; in func_unpol()
2802 t4597 = t1709 * t758; in func_unpol()
2823 t4679 = t1709 * t3443; in func_unpol()
2869 t4870 = t1709 * t777; in func_unpol()
[all …]
H A Dmgga_c_cs.c731 double t1693, t1697, t1698, t1700, t1703, t1706, t1707, t1709; in func_pol() local
2187 t1709 = t229 * t282; in func_pol()
2207 …+ t1706 + 0.63563195664711111110e-3 * t1707 + 0.11292316640000000000e-1 * t1709 + 0.89161600000000… in func_pol()
2250 …+ 0.47672396748533333332e-3 * t1707 + t1706 + 0.56461583199999999999e-2 * t1709 + 0.20804373333333… in func_pol()
2300 …+ 0.31781597832355555554e-3 * t1707 + t1706 + 0.18820527733333333333e-2 * t1709 + 0.13869582222222… in func_pol()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F305 t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & local
1236 t1709 = t187*t1504
1261 t1758 = t1709*t65 - t1714 + t1717 + t1719 - t1724 + t1728 - t1730 &
2015 *t516*t1709*t526 + 0.6666666668e0_dp*t3533*t187*t1722 - 0.1000000001e1_dp &
2592 t6004 = t1709*t178*t710
3084 t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, t1715, t1717, & local
4012 t1709 = t187*t1504
4037 t1758 = t1709*t65 - t1714 + t1717 + t1719 - t1724 + t1728 - t1730 &
4791 *t516*t1709*t526 + 0.6666666668e0_dp*t3533*t187*t1722 - 0.1000000001e1_dp &
5368 t6004 = t1709*t178*t710
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_xbecke88_lr_adiabatic.F305 t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & local
1236 t1709 = t187*t1504
1261 t1758 = t1709*t65 - t1714 + t1717 + t1719 - t1724 + t1728 - t1730 &
2015 *t516*t1709*t526 + 0.6666666668e0_dp*t3533*t187*t1722 - 0.1000000001e1_dp &
2592 t6004 = t1709*t178*t710
3084 t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, t1715, t1717, & local
4012 t1709 = t187*t1504
4037 t1758 = t1709*t65 - t1714 + t1717 + t1719 - t1724 + t1728 - t1730 &
4791 *t516*t1709*t526 + 0.6666666668e0_dp*t3533*t187*t1722 - 0.1000000001e1_dp &
5368 t6004 = t1709*t178*t710

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