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Searched refs:t1761 (Results 1 – 25 of 97) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_c_pkzb.c5434 t1761 = t601 * t1760; in func_pol()
7316 t5255 = t1761 * t5254; in func_pol()
8037 t7025 = t1761 * t7024; in func_pol()
8765 t8938 = t1761 * t8937; in func_pol()
12771 t15326 = t1761 * t5253 * t5262; in func_pol()
12830 t15606 = t1761 * t5253 * t5153; in func_pol()
12888 t15869 = t1761 * t5253 * t5258; in func_pol()
12904 t15990 = t1761 * t5253 * t5143; in func_pol()
14097 t21794 = t1761 * t5253 * t6771; in func_pol()
14103 t21813 = t1761 * t5253 * t7014; in func_pol()
[all …]
H A Dmgga_c_cs.c733 double t1744, t1747, t1748, t1751, t1754, t1755, t1761, t1770; in func_pol() local
2202 t1761 = 0.2618e4 / 0.81e2 * t50 / t51 / t1658; in func_pol()
2203 …t1748 + 0.40e2 / 0.3e1 * t234 * t1751 - 0.80e2 / 0.81e2 * t1754 * t1755 - t1761 + 0.5e1 / 0.24e2 *… in func_pol()
2241 …* t234 * t1984 + 0.40e2 * t253 * t1987 + 0.25e2 / 0.108e3 * t100 * t753 - t1761 - 0.5e1 / 0.4e1 * … in func_pol()
2296 …t2310 = t1975 - t1983 - t1761 - 0.5e1 / 0.27e2 * t1996 * t880 * t1886 + 0.5e1 / 0.27e2 * t2001 * t… in func_pol()
2345 …t2576 = -t1761 - 0.25e2 / 0.72e2 * t100 * t1006 + 0.25e2 / 0.324e3 * t100 * t1028 - 0.80e2 / 0.81e… in func_pol()
2366 … 0.160e3 / 0.3e1 * t825 * t1001 + 0.160e3 / 0.9e1 * t253 * t136 * t1015 - t1761 - 0.5e1 / 0.18e2 *… in func_pol()
H A Dhyb_mgga_x_m05.c93 double t1717, t1718, t1726, t1727, t1731, t1732, t1761, t1764; in func_unpol() local
1112 double t1758, t1761, t1767, t1771, t1775, t1778, t1788, t1791; in func_ferr() local
1782 t1761 = t65 * t42; in func_ferr()
1788 … * t154 * t1743 + 0.350000e6 / 0.27e2 * t61 * t1758 + 0.25000e5 / 0.9e1 * t1761 * t1735 + 0.200000… in func_ferr()
1891 …e1 * t147 * t2375 - 0.32800e5 / 0.27e2 * t55 * t2387 - 0.5000e4 / 0.3e1 * t1761 * t2473 - 0.40000e… in func_ferr()
1940 …- 0.5600e4 / 0.3e1 * t1041 * t2778 - 0.8400e4 * t351 * t2746 + 0.1000e4 * t1761 * t2739 + 0.8000e4… in func_ferr()
1982 …8150e5 * t397 * t1457 + 0.4950e4 * t85 * t1457 - 0.200e3 * t1746 * t3114 - 0.600e3 * t1761 * t3118; in func_ferr()
2047 …3 * t3267 + 0.1920e4 * t147 * t3273 + 0.120e3 * t1746 * t3267 + 0.360e3 * t1761 * t3270 + 0.3024e4… in func_ferr()
2177 double t1728, t1761, t1762, t1763, t1764; in func_pol() local
3321 …t1761 = 0.56e2 * t1008 * t1728 + 0.2e1 * t137 * t1712 + 0.6e1 * t142 * t1715 + 0.12e2 * t147 * t17… in func_pol()
[all …]
H A Dmgga_x_scan.c3088 double t1741, t1745, t1746, t1748, t1751, t1754, t1756, t1761; in func_pol() local
4575 t1761 = t537 * t537; in func_pol()
4576 t1762 = t76 * t1761; in func_pol()
4577 t1766 = t1761 * t94; in func_pol()
6210 t4741 = t1761 * t285; in func_pol()
6617 t5393 = t1761 * t460; in func_pol()
6746 t5560 = t1761 * t537; in func_pol()
6750 t5577 = t1761 * t554; in func_pol()
9282 …* t3625 * t4744 * t1485 - 0.24e2 * t3625 * t4770 * t1485 - 0.2e1 * t220 * t1761 * t1540 - 0.2e1 * … in func_pol()
9666 t17849 = t1761 * t1761; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_pmgb06.c3392 t1761 = t1386 * t212; in func_pol()
3395 t1765 = 0.2e1 / 0.45e2 * t1761 * t1763; in func_pol()
4353 t3562 = 0.2e1 / 0.15e2 * t1761 * t3560; in func_pol()
4365 t3578 = 0.2e1 / 0.15e2 * t1761 * t3576; in func_pol()
4840 t4640 = 0.4e1 / 0.45e2 * t1761 * t4638; in func_pol()
5250 t5302 = 0.2e1 / 0.45e2 * t1761 * t5300; in func_pol()
5256 t5310 = 0.2e1 / 0.45e2 * t1761 * t5308; in func_pol()
5271 t5333 = 0.4e1 / 0.45e2 * t1761 * t5331; in func_pol()
5554 t5969 = 0.4e1 / 0.45e2 * t1761 * t5967; in func_pol()
5572 t5994 = 0.4e1 / 0.45e2 * t1761 * t5992; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_k_tflw.c366 double t1734, t1743, t1752, t1761; in func_pol() local
1199 t1761 = t38 * t686; in func_pol()
1201 …44 * t230 * t78 + 0.5e1 / 0.24e2 * t253 * t110 * t523 + 0.55e2 / 0.27e2 * t1761 + 0.55e2 / 0.27e2 … in func_pol()
1210 …v4rho3sigma[11] = -t1617 - 0.10e2 / 0.9e1 * t1692 + 0.55e2 / 0.9e1 * t1761 - 0.5e1 / 0.3e1 * t253 … in func_pol()
H A Dgga_k_ol1.c405 double t1741, t1744, t1745, t1757, t1760, t1761, t1780, t1787; in func_pol() local
1217 t1761 = t452 * t728; in func_pol()
1221 …00e3 / 0.27e2 * t1699 + 0.50e2 / 0.27e2 * t1757 + t1760 + 0.5e1 / 0.9e1 * t1761 + 0.20e2 / 0.9e1 *… in func_pol()
1238 …v4rho3sigma[6] = 0.100e3 / 0.27e2 * t1757 + t1760 + t1787 + 0.50e2 / 0.9e1 * t1761 + 0.50e2 / 0.27… in func_pol()
H A Dgga_x_hcth_a.c682 double t1750, t1758, t1761, t1762, t1768, t1770, t1771, t1777; in func_pol() local
1576 t1761 = 0.5e1 / 0.9e1 * t792; in func_pol()
1577 … * t759 - 0.6e1 * t763 - 0.6e1 * t767 - 0.2e1 * t776 - t1758 - 0.2e1 * t783 - 0.2e1 * t788 - t1761; in func_pol()
1624 …3e1 + t684 + 0.3e1 / 0.4e1 * t687 - 0.3e1 / 0.4e1 * t690 - t751 - t1758 - t1761 + t9 * (t1848 + t1… in func_pol()
1657 …76 / 0.9e1 + 0.2e1 / 0.3e1 * t684 + t687 / 0.2e1 - t690 / 0.4e1 - t1758 - t1761 + t9 * (t2093 + t2… in func_pol()
1679 …t2407 = -t862 + t873 + t880 - t884 + t890 + t665 + t685 + t688 - t1758 - t1761 + t9 * (t2305 + t23… in func_pol()
1698 …* t1006 - 0.6e1 * t1010 - 0.2e1 * t1015 - 0.3e1 / 0.2e1 * t1074 - t1758 - t1761 + t810 - 0.3e1 / 0… in func_pol()
H A Dgga_x_hjs_b88_v2.c4209 t1762 = t1761 * t100; in func_ferr()
4211 t1768 = t393 * t1761; in func_ferr()
4222 t1819 = t99 * t1761; in func_ferr()
4229 t1852 = t116 * t1761; in func_ferr()
4234 t1866 = t376 * t1761; in func_ferr()
4248 t1907 = t94 * t1761; in func_ferr()
4255 t1938 = t165 * t1761; in func_ferr()
4256 t1945 = t386 * t1761; in func_ferr()
4799 t4127 = t866 * t1761; in func_ferr()
4892 t4647 = t293 * t1761; in func_ferr()
[all …]
H A Dgga_x_cap.c889 double t1737, t1738, t1742, t1745, t1747, t1757, t1759, t1761; in func_pol() local
1860 t1761 = 0.1e1 / t787 / t36; in func_pol()
1877 …47 * t782 + 0.116e3 / 0.729e3 * t1747 * t776 - 0.16e2 / 0.243e3 * t1759 * t1761 * t1762 * t1767 - … in func_pol()
2039 …/ 0.972e3 * t281 * t2700 * t113 * t1208 + 0.2e1 / 0.81e2 * t281 * t2715 * t1761 * t2718 * t2720 + … in func_pol()
2122 …* t790 * t3186 / 0.108e3 + 0.4e1 / 0.27e2 * t1368 * t289 - t281 * t3195 * t1761 * t2718 * t3186 / … in func_pol()
2196 …t3470 = t1388 * t1494 / 0.144e3 + t1388 * t1499 / 0.144e3 + t281 * t3431 * t1761 * t2718 * t3419 /… in func_pol()
2273 … t1476 * t775 / 0.768e3 + t1488 * t494 * t3635 / 0.768e3 - t281 * t1790 * t1761 * t2718 * t3623 / … in func_pol()
H A Dgga_x_pbetrans.c1315 double t1749, t1751, t1752, t1755, t1758, t1761, t1762, t1763; in func_pol() local
2241 t1761 = t790 * t211; in func_pol()
2271 …t1892 = 0.41300000000000000000e0 * t1761 * t1763 + 0.45888888888888888888e-1 * t293 * t1767 * t298… in func_pol()
2272 …t1894 = -0.41300000000000000000e0 * t1761 * t1813 - 0.45888888888888888888e-1 * t293 * t1767 * t31… in func_pol()
2273 …t1896 = 0.41300000000000000000e0 * t1761 * t1764 + 0.45888888888888888888e-1 * t293 * t1767 * t299… in func_pol()
2861 t4625 = t1761 * t1762; in func_pol()
2869 …26156666666666666667e1 * t1771 * t4597 * t51 + 0.26156666666666666667e1 * t1761 * t4604 * t51 + 0.… in func_pol()
2874 …* (-0.36711111111111111111e0 * t4524 * t2457 - 0.26156666666666666667e1 * t1761 * t4604 + 0.550666… in func_pol()
2875 …t1761 * t1763 * t141 + 0.26156666666666666667e1 * t1771 * t4597 * t53 - 0.82600000000000000002e0 *… in func_pol()
2991 …0650000000000000000e0 * t1789 * t1790 * t226 + 0.12390000000000000000e1 * t1761 * t1763 * t226 - 0… in func_pol()
H A Dgga_xc_th2.c470 double t1750, t1751, t1760, t1761, t1764, t1765, t1768, t1769; in func_pol() local
1264 t1761 = t1760 * t196; in func_pol()
1271 …7e2 * t279 * t659 + 0.32e2 / 0.9e1 * t279 * t663 - 0.8e1 / 0.27e2 * t54 * t1761 - 0.8e1 / 0.9e1 * … in func_pol()
1933 …t4363 = -0.112e3 / 0.9e1 * t826 * t663 + 0.32e2 / 0.27e2 * t279 * t1761 + 0.32e2 / 0.9e1 * t3746 *… in func_pol()
2136 …1594444444444444e-1 * t1016 * t2780 + 0.53104962962962962962e-2 * t2627 * t1761 + 0.16330333333333… in func_pol()
2140 …1629629629629629e-1 * t2611 * t1761 - 0.10886888888888888889e-1 * t2617 * t1761 - 0.10899333333333… in func_pol()
H A Dgga_x_b88.c722 double t1736, t1738, t1744, t1747, t1750, t1761, t1764, t1766; in func_pol() local
1627 t1761 = t7 * t360 * t126; in func_pol()
1629 …7 * t75 * t714 * t80 - 0.3e1 * t7 * t75 * t300 * t244 - 0.20e2 / 0.27e2 * t1761 - 0.20e2 / 0.27e2 … in func_pol()
1674 … 0.27e2 - t1744 / 0.2e1 - t1747 / 0.2e1 - t1750 / 0.6e1 - 0.5e1 / 0.9e1 * t1761 - 0.5e1 / 0.9e1 * … in func_pol()
1709 …691 + t1694 / 0.9e1 + t1711 / 0.27e2 + t1720 / 0.27e2 - 0.10e2 / 0.27e2 * t1761 - 0.10e2 / 0.27e2 … in func_pol()
1731 ….12e2 * t1947 - 0.5e1 / 0.36e2 * t1630 + t1635 + t1639 - 0.5e1 / 0.27e2 * t1761 - 0.5e1 / 0.27e2 *… in func_pol()
H A Dgga_k_pearson.c557 double t1755, t1761, t1777, t1815, t1825, t1843, t1848, t1851; in func_pol() local
1401 t1761 = t254 * t259 * t815; in func_pol()
1402 …0.3e1 + 0.2e1 / 0.3e1 * t1755 + t194 * t285 * t7 * t318 + 0.2e1 / 0.3e1 * t1761 + t194 * t77 * t78… in func_pol()
1431 …t2032 = 0.16e2 / 0.27e2 * t1429 + 0.8e1 / 0.3e1 * t1755 + 0.8e1 / 0.3e1 * t1761 + 0.4e1 / 0.3e1 * … in func_pol()
H A Dgga_k_thakkar.c788 double t1737, t1738, t1744, t1746, t1747, t1750, t1753, t1761; in func_pol() local
1723 t1761 = t131 * t1750 * t77 * t7; in func_pol()
1727 …1 / 0.3e1 * t1753 + 0.3e1 / 0.2e1 * t83 * t346 * t311 * t7 - 0.8e1 / 0.3e1 * t1761 + t1764 - t1767; in func_pol()
1773 …1744 + 0.8e1 / 0.27e2 * t1747 + 0.32e2 / 0.9e1 * t1753 - 0.32e2 / 0.9e1 * t1761 + 0.2e1 / 0.3e1 * … in func_pol()
1803 …t2258 = t1761 / 0.3e1 - t1767 + 0.4e1 / 0.27e2 * t1474 + 0.4e1 / 0.27e2 * t1484 + 0.4e1 / 0.15e2 *… in func_pol()
H A Dgga_x_pw86.c619 double t1756, t1761, t1764, t1767, t1769, t1773, t1779, t1790; in func_pol() local
1583 t1761 = t714 / 0.3e1; in func_pol()
1584 …56 - t691 / 0.10e2 - t695 / 0.2e1 + t700 - t704 / 0.10e2 + t710 / 0.3e1 - t1761 - t719 + 0.7e1 / 0… in func_pol()
1650 …6 + t2271) - t1506 - t1507 - t897 - t902 - t922 - t791 / 0.15e2 - t1756 - t1761 - t1767 - t1769 + … in func_pol()
H A Dgga_k_pw86.c561 double t1744, t1758, t1761, t1776, t1787, t1789, t1796, t1799; in func_pol() local
1457 t1761 = t126 * t596 * t153 * t785; in func_pol()
1458 …t1776 = t1761 / 0.9e1 + 0.2e1 / 0.3e1 * t206 * t84 * t714 * t89 - 0.4e1 / 0.27e2 * t1424 - 0.8e1 /… in func_pol()
1499 ….45e2 * t1722 + t1733 / 0.15e2 - 0.4e1 / 0.3e1 * t1744 - 0.2e1 / 0.15e2 * t1761 - t1432 - t1461 - … in func_pol()
H A Dgga_x_2d_pbe.c432 double t1749, t1753, t1757, t1761, t1777, t1808, t1829, t1841; in func_pol() local
1366 t1761 = t233 * t233; in func_pol()
1367 …* t22 * t1753 - 0.3e1 / 0.2e1 * t923 * t38 * t1757 - 0.6e1 * t153 * t38 * t1761 - 0.8e1 * t170 * t… in func_pol()
H A Dgga_x_ev93.c907 double t1760, t1761, t1763, t1764, t1765, t1767, t1768, t1770; in func_pol() local
2110 t1761 = t561 * t572; in func_pol()
2111 t1763 = t155 * t116 * t1761; in func_pol()
2774 t5044 = t155 * t298 * t1761; in func_pol()
2776 …041 - t5044 + 0.9e1 / 0.2e1 * t155 * t302 * t1757 - 0.3e1 * t155 * t302 * t1761 + 0.9e1 / 0.4e1 * … in func_pol()
2895 …e3 + 0.27e2 / 0.4e1 * t155 * t527 * t1757 - 0.9e1 / 0.2e1 * t155 * t527 * t1761 + 0.3e1 / 0.2e1 * … in func_pol()
H A Dgga_x_vmt84.c890 double t1727, t1728, t1730, t1738, t1754, t1755, t1760, t1761; in func_pol() local
1786 t1761 = t269 * t1760; in func_pol()
1788 v3rhosigma2[11] = -t1684 / 0.2e1 - t237 * t1695 / 0.2e1 - 0.3e1 / 0.8e1 * t237 * t1761; in func_pol()
2175 t3659 = t1479 * t1761; in func_pol()
H A Dgga_x_n12.c73 double t1613, t1647, t1681, t1683, t1709, t1726, t1729, t1761; in func_unpol() local
474 …t1761 = -0.21617777777777777778e-2 * t532 * t863 + 0.76003555555555555557e-4 * t867 * t1008 - 0.40… in func_unpol()
477 …t1853 = t1761 * t103 + t1794 * t86 + t1827 * t69 - 0.35555555555555555555e0 * t1088 * t367 - 0.177… in func_unpol()
1084 double t1749, t1752, t1756, t1757, t1759, t1761, t1763, t1766; in func_pol() local
2003 t1761 = t272 * t897; in func_pol()
2021 … * t1757 + 0.88888888888888888886e-1 * t1759 - 0.26666666666666666666e0 * t1761 + 0.13333333333333… in func_pol()
2248 …* t1757 + 0.29629629629629629629e-1 * t1759 - 0.88888888888888888886e-1 * t1761 + 0.44444444444444… in func_pol()
H A Dgga_c_tca.c847 double t1744, t1761, t1801, t1807, t1809, t1814, t1818, t1820; in func_pol() local
1919 t1761 = t1 * t1; in func_pol()
1920 …t1761 * t1187 - 0.4e1 / 0.9e1 * t230 * t156 + 0.4e1 / 0.3e1 * t230 * t369 + 0.4e1 / 0.27e2 * t360 … in func_pol()
H A Dgga_k_apbeint.c746 double t1759, t1760, t1761, t1775, t1776, t1777, t1780, t1783; in func_pol() local
1733 …t1761 = t8 * (t1600 + t1648 + t1694 + t1745) - 0.4e1 / 0.9e1 * t629 + 0.8e1 / 0.3e1 * t632 - 0.4e1… in func_pol()
1736 v4rho4[0] = t1761 + t1775; in func_pol()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_pbe.F448 t1676, t168, t17, t170, t171, t1715, t1722, t175, t1758, t1759, t176, t1761, t177, t178, & local
1226 t1761 = t1295*t189
1245 … t1759*t559 + 0.2e1_dp*t230*t1761*t448 - t230*t439*t435))
1278 … t557*t1927 + 0.2e1_dp*t612*t1761))
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_pbe.F448 t1676, t168, t17, t170, t171, t1715, t1722, t175, t1758, t1759, t176, t1761, t177, t178, & local
1226 t1761 = t1295*t189
1245 … t1759*t559 + 0.2e1_dp*t230*t1761*t448 - t230*t439*t435))
1278 … t557*t1927 + 0.2e1_dp*t612*t1761))

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