/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_ms.c | 615 v3rho2lapl[0] = 0.0e0; in func_unpol() 1964 v3rho2lapl[0] = 0.0e0; in func_ferr() 4328 v3rho2lapl[0] = 0.0e0; in func_pol() 4331 v3rho2lapl[1] = 0.0e0; in func_pol() 4334 v3rho2lapl[2] = 0.0e0; in func_pol() 4337 v3rho2lapl[3] = 0.0e0; in func_pol() 4340 v3rho2lapl[4] = 0.0e0; in func_pol() 4343 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_m08.c | 753 v3rho2lapl[0] = 0.0e0; in func_unpol() 2051 v3rho2lapl[0] = 0.0e0; in func_ferr() 4501 v3rho2lapl[0] = 0.0e0; in func_pol() 4504 v3rho2lapl[1] = 0.0e0; in func_pol() 4507 v3rho2lapl[2] = 0.0e0; in func_pol() 4510 v3rho2lapl[3] = 0.0e0; in func_pol() 4513 v3rho2lapl[4] = 0.0e0; in func_pol() 4516 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_rtpss.c | 706 v3rho2lapl[0] = 0.0e0; in func_unpol() 2123 v3rho2lapl[0] = 0.0e0; in func_ferr() 4773 v3rho2lapl[0] = 0.0e0; in func_pol() 4776 v3rho2lapl[1] = 0.0e0; in func_pol() 4779 v3rho2lapl[2] = 0.0e0; in func_pol() 4782 v3rho2lapl[3] = 0.0e0; in func_pol() 4785 v3rho2lapl[4] = 0.0e0; in func_pol() 4788 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_msb.c | 656 v3rho2lapl[0] = 0.0e0; in func_unpol() 2117 v3rho2lapl[0] = 0.0e0; in func_ferr() 4674 v3rho2lapl[0] = 0.0e0; in func_pol() 4677 v3rho2lapl[1] = 0.0e0; in func_pol() 4680 v3rho2lapl[2] = 0.0e0; in func_pol() 4683 v3rho2lapl[3] = 0.0e0; in func_pol() 4686 v3rho2lapl[4] = 0.0e0; in func_pol() 4689 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_task.c | 719 v3rho2lapl[0] = 0.0e0; in func_unpol() 2194 v3rho2lapl[0] = 0.0e0; in func_ferr() 4914 v3rho2lapl[0] = 0.0e0; in func_pol() 4917 v3rho2lapl[1] = 0.0e0; in func_pol() 4920 v3rho2lapl[2] = 0.0e0; in func_pol() 4923 v3rho2lapl[3] = 0.0e0; in func_pol() 4926 v3rho2lapl[4] = 0.0e0; in func_pol() 4929 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_scan.c | 780 v3rho2lapl[0] = 0.0e0; in func_unpol() 2246 v3rho2lapl[0] = 0.0e0; in func_ferr() 5564 v3rho2lapl[0] = 0.0e0; in func_pol() 5567 v3rho2lapl[1] = 0.0e0; in func_pol() 5570 v3rho2lapl[2] = 0.0e0; in func_pol() 5573 v3rho2lapl[3] = 0.0e0; in func_pol() 5576 v3rho2lapl[4] = 0.0e0; in func_pol() 5579 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_tpss.c | 810 v3rho2lapl[0] = 0.0e0; in func_unpol() 2477 v3rho2lapl[0] = 0.0e0; in func_ferr() 5426 v3rho2lapl[0] = 0.0e0; in func_pol() 5429 v3rho2lapl[1] = 0.0e0; in func_pol() 5432 v3rho2lapl[2] = 0.0e0; in func_pol() 5435 v3rho2lapl[3] = 0.0e0; in func_pol() 5438 v3rho2lapl[4] = 0.0e0; in func_pol() 5441 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_c_b88.c | 863 v3rho2lapl[0] = 0.0e0; in func_unpol() 1966 v3rho2lapl[0] = 0.0e0; in func_ferr() 5989 v3rho2lapl[0] = 0.0e0; in func_pol() 5992 v3rho2lapl[1] = 0.0e0; in func_pol() 5995 v3rho2lapl[2] = 0.0e0; in func_pol() 5998 v3rho2lapl[3] = 0.0e0; in func_pol() 6001 v3rho2lapl[4] = 0.0e0; in func_pol() 6004 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_c_bc95.c | 801 v3rho2lapl[0] = 0.0e0; in func_unpol() 1671 v3rho2lapl[0] = 0.0e0; in func_ferr() 6962 v3rho2lapl[0] = 0.0e0; in func_pol() 6965 v3rho2lapl[1] = 0.0e0; in func_pol() 6968 v3rho2lapl[2] = 0.0e0; in func_pol() 6971 v3rho2lapl[3] = 0.0e0; in func_pol() 6974 v3rho2lapl[4] = 0.0e0; in func_pol() 6977 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_edmgga.c | 611 v3rho2lapl[0] = -t792 * t176 / 0.12e2 - t285 * t387 / 0.2e1 - 0.3e1 / 0.16e2 * t76 * t1005; in func_unpol() 2235 v3rho2lapl[0] = -t771 * t163 / 0.6e1 - t270 * t365 - 0.3e1 / 0.8e1 * t69 * t974; in func_ferr() 4914 …v3rho2lapl[0] = -0.4e1 / 0.3e1 * t2371 - t2375 - t2377 - t262 * t527 * t2378 / 0.6e1 - t262 * t678… in func_pol() 4921 …v3rho2lapl[1] = -0.4e1 / 0.3e1 * t2482 - t2486 - t262 * t550 * t2487 / 0.6e1 - t262 * t736 * t2491… in func_pol() 4929 …v3rho2lapl[2] = -0.2e1 / 0.3e1 * t2371 - t2375 - t2377 / 0.2e1 - 0.2e1 / 0.3e1 * t2497 - t2210 * t… in func_pol() 4938 …v3rho2lapl[3] = -0.2e1 / 0.3e1 * t2482 - t2486 - 0.2e1 / 0.3e1 * t2512 - t2210 * t2515 / 0.6e1 + t… in func_pol() 4943 v3rho2lapl[4] = -0.4e1 / 0.3e1 * t2497 - t2375 - t262 * t2530 / 0.6e1 - t262 * t2534 / 0.2e1; in func_pol() 4972 …v3rho2lapl[5] = -0.4e1 / 0.3e1 * t2512 - t2486 - t2522 - t262 * t2539 / 0.6e1 - t262 * t2543 - t26… in func_pol()
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H A D | mgga_x_m11.c | 841 v3rho2lapl[0] = 0.0e0; in func_unpol() 2244 v3rho2lapl[0] = 0.0e0; in func_ferr() 6216 v3rho2lapl[0] = 0.0e0; in func_pol() 6219 v3rho2lapl[1] = 0.0e0; in func_pol() 6222 v3rho2lapl[2] = 0.0e0; in func_pol() 6225 v3rho2lapl[3] = 0.0e0; in func_pol() 6228 v3rho2lapl[4] = 0.0e0; in func_pol() 6231 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_tm.c | 786 v3rho2lapl[0] = 0.0e0; in func_unpol() 2780 v3rho2lapl[0] = 0.0e0; in func_ferr() 5998 v3rho2lapl[0] = 0.0e0; in func_pol() 6001 v3rho2lapl[1] = 0.0e0; in func_pol() 6004 v3rho2lapl[2] = 0.0e0; in func_pol() 6007 v3rho2lapl[3] = 0.0e0; in func_pol() 6010 v3rho2lapl[4] = 0.0e0; in func_pol() 6013 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_c_m05.c | 1126 v3rho2lapl[0] = 0.0e0; in func_unpol() 2399 v3rho2lapl[0] = 0.0e0; in func_ferr() 8645 v3rho2lapl[0] = 0.0e0; in func_pol() 8648 v3rho2lapl[1] = 0.0e0; in func_pol() 8651 v3rho2lapl[2] = 0.0e0; in func_pol() 8654 v3rho2lapl[3] = 0.0e0; in func_pol() 8657 v3rho2lapl[4] = 0.0e0; in func_pol() 8660 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_2d_prhg07.c | 584 v3rho2lapl[0] = t535 + t575; in func_unpol() 2707 v3rho2lapl[0] = t491 + t524; in func_ferr() 6351 v3rho2lapl[0] = t1794 + t1849; in func_pol() 6358 …v3rho2lapl[1] = -0.9e1 / 0.8e1 * t1850 - t1853 - 0.3e1 / 0.16e2 * t1540 * t1854 - 0.3e1 / 0.8e1 * … in func_pol() 6368 …v3rho2lapl[2] = -0.9e1 / 0.16e2 * t1776 - t1848 - 0.3e1 / 0.16e2 * t1780 - 0.3e1 / 0.8e1 * t1839 -… in func_pol() 6386 …v3rho2lapl[3] = -0.9e1 / 0.16e2 * t1850 - t1853 - 0.9e1 / 0.16e2 * t1889 - 0.3e1 / 0.16e2 * t1892 … in func_pol() 6391 …v3rho2lapl[4] = -0.9e1 / 0.8e1 * t1866 - t1848 - 0.3e1 / 0.16e2 * t1431 * t1925 - 0.3e1 / 0.8e1 * … in func_pol() 6428 v3rho2lapl[5] = t1985 + t2023; in func_pol()
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H A D | mgga_x_revtm.c | 894 v3rho2lapl[0] = 0.0e0; in func_unpol() 3164 v3rho2lapl[0] = 0.0e0; in func_ferr() 6761 v3rho2lapl[0] = 0.0e0; in func_pol() 6764 v3rho2lapl[1] = 0.0e0; in func_pol() 6767 v3rho2lapl[2] = 0.0e0; in func_pol() 6770 v3rho2lapl[3] = 0.0e0; in func_pol() 6773 v3rho2lapl[4] = 0.0e0; in func_pol() 6776 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_mn12.c | 1198 v3rho2lapl[0] = 0.0e0; in func_unpol() 2897 v3rho2lapl[0] = 0.0e0; in func_ferr() 6783 v3rho2lapl[0] = 0.0e0; in func_pol() 6786 v3rho2lapl[1] = 0.0e0; in func_pol() 6789 v3rho2lapl[2] = 0.0e0; in func_pol() 6792 v3rho2lapl[3] = 0.0e0; in func_pol() 6795 v3rho2lapl[4] = 0.0e0; in func_pol() 6798 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_c_vsxc.c | 1111 v3rho2lapl[0] = 0.0e0; in func_unpol() 2495 v3rho2lapl[0] = 0.0e0; in func_ferr() 8334 v3rho2lapl[0] = 0.0e0; in func_pol() 8337 v3rho2lapl[1] = 0.0e0; in func_pol() 8340 v3rho2lapl[2] = 0.0e0; in func_pol() 8343 v3rho2lapl[3] = 0.0e0; in func_pol() 8346 v3rho2lapl[4] = 0.0e0; in func_pol() 8349 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | hyb_mgga_x_pjs18.c | 893 v3rho2lapl[0] = 0.0e0; in func_unpol() 2603 v3rho2lapl[0] = 0.0e0; in func_ferr() 7481 v3rho2lapl[0] = 0.0e0; in func_pol() 7484 v3rho2lapl[1] = 0.0e0; in func_pol() 7487 v3rho2lapl[2] = 0.0e0; in func_pol() 7490 v3rho2lapl[3] = 0.0e0; in func_pol() 7493 v3rho2lapl[4] = 0.0e0; in func_pol() 7496 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_m11_l.c | 1223 v3rho2lapl[0] = 0.0e0; in func_unpol() 3169 v3rho2lapl[0] = 0.0e0; in func_ferr() 8116 v3rho2lapl[0] = 0.0e0; in func_pol() 8119 v3rho2lapl[1] = 0.0e0; in func_pol() 8122 v3rho2lapl[2] = 0.0e0; in func_pol() 8125 v3rho2lapl[3] = 0.0e0; in func_pol() 8128 v3rho2lapl[4] = 0.0e0; in func_pol() 8131 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_vt84.c | 1286 v3rho2lapl[0] = 0.0e0; in func_unpol() 4487 v3rho2lapl[0] = 0.0e0; in func_ferr() 9409 v3rho2lapl[0] = 0.0e0; in func_pol() 9412 v3rho2lapl[1] = 0.0e0; in func_pol() 9415 v3rho2lapl[2] = 0.0e0; in func_pol() 9418 v3rho2lapl[3] = 0.0e0; in func_pol() 9421 v3rho2lapl[4] = 0.0e0; in func_pol() 9424 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_c_scan.c | 1006 v3rho2lapl[0] = 0.0e0; in func_unpol() 2656 v3rho2lapl[0] = 0.0e0; in func_ferr() 8775 v3rho2lapl[0] = 0.0e0; in func_pol() 8778 v3rho2lapl[1] = 0.0e0; in func_pol() 8781 v3rho2lapl[2] = 0.0e0; in func_pol() 8784 v3rho2lapl[3] = 0.0e0; in func_pol() 8787 v3rho2lapl[4] = 0.0e0; in func_pol() 8790 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_x_sa_tpss.c | 1488 v3rho2lapl[0] = 0.0e0; in func_unpol() 5126 v3rho2lapl[0] = 0.0e0; in func_ferr() 10616 v3rho2lapl[0] = 0.0e0; in func_pol() 10619 v3rho2lapl[1] = 0.0e0; in func_pol() 10622 v3rho2lapl[2] = 0.0e0; in func_pol() 10625 v3rho2lapl[3] = 0.0e0; in func_pol() 10628 v3rho2lapl[4] = 0.0e0; in func_pol() 10631 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_xc_b97mv.c | 1242 v3rho2lapl[0] = 0.0e0; in func_unpol() 2955 v3rho2lapl[0] = 0.0e0; in func_ferr() 9742 v3rho2lapl[0] = 0.0e0; in func_pol() 9745 v3rho2lapl[1] = 0.0e0; in func_pol() 9748 v3rho2lapl[2] = 0.0e0; in func_pol() 9751 v3rho2lapl[3] = 0.0e0; in func_pol() 9754 v3rho2lapl[4] = 0.0e0; in func_pol() 9757 v3rho2lapl[5] = 0.0e0; in func_pol()
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H A D | mgga_k_pc07.c | 1256 v3rho2lapl[0] = t1178 * t256 / 0.6e1 + t411 * t636 / 0.2e1 + 0.3e1 / 0.20e2 * t95 * t1841; in func_unpol() 5152 v3rho2lapl[0] = t1147 * t239 / 0.3e1 + t389 * t612 + 0.3e1 / 0.10e2 * t87 * t1804; in func_ferr() 10645 …v3rho2lapl[0] = 0.5e1 / 0.3e1 * t3537 + t3541 + t3543 + t930 * t3544 * t533 / 0.3e1 + t930 * t3548… in func_pol() 10652 …v3rho2lapl[1] = 0.5e1 / 0.3e1 * t3868 + t3872 + t930 * t3873 * t704 / 0.3e1 + t930 * t1299 * t712 … in func_pol() 10659 …v3rho2lapl[2] = 0.5e1 / 0.6e1 * t3537 + t3541 + t3543 / 0.2e1 + 0.5e1 / 0.6e1 * t3882 + t930 * t38… in func_pol() 10668 …v3rho2lapl[3] = 0.5e1 / 0.6e1 * t3868 + t3872 + 0.5e1 / 0.6e1 * t3894 + t930 * t3896 / 0.3e1 - t31… in func_pol() 10673 v3rho2lapl[4] = 0.5e1 / 0.3e1 * t3882 + t3541 + t930 * t3909 / 0.3e1 + t930 * t3912 / 0.2e1; in func_pol() 10769 …v3rho2lapl[5] = 0.5e1 / 0.3e1 * t3894 + t3872 + t3902 + t930 * t3916 / 0.3e1 + t930 * t3919 + t930… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
H A D | mgga_x_tb09.c | 568 v3rho2lapl[0] = t570 * t7 / 0.2e1 + t190 * t133 / 0.6e1; in func_unpol() 2586 v3rho2lapl[0] = t545 * t4 + t174 * t122 / 0.3e1; in func_ferr() 4861 v3rho2lapl[0] = t527 * t4 + t257 * t165 / 0.3e1; in func_pol() 4864 v3rho2lapl[1] = 0.0e0; in func_pol() 4867 v3rho2lapl[2] = 0.0e0; in func_pol() 4870 v3rho2lapl[3] = 0.0e0; in func_pol() 4873 v3rho2lapl[4] = 0.0e0; in func_pol() 4957 v3rho2lapl[5] = t667 * t54 + t279 * t233 / 0.3e1; in func_pol()
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