| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_regtpss.c | 2938 v4rho3lapl[0] = 0.0e0; in func_unpol()
7007 v4rho3lapl[0] = 0.0e0; in func_ferr()
14842 v4rho3lapl[0] = 0.0e0; in func_pol()
14845 v4rho3lapl[1] = 0.0e0; in func_pol()
14848 v4rho3lapl[2] = 0.0e0; in func_pol()
14851 v4rho3lapl[3] = 0.0e0; in func_pol()
14854 v4rho3lapl[4] = 0.0e0; in func_pol()
14857 v4rho3lapl[5] = 0.0e0; in func_pol()
14860 v4rho3lapl[6] = 0.0e0; in func_pol()
14863 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_c_pkzb.c | 1350 v4rho3lapl[0] = 0.0e0; in func_unpol()
2263 v4rho3lapl[0] = 0.0e0; in func_ferr()
17119 v4rho3lapl[0] = 0.0e0; in func_pol()
17122 v4rho3lapl[1] = 0.0e0; in func_pol()
17125 v4rho3lapl[2] = 0.0e0; in func_pol()
17128 v4rho3lapl[3] = 0.0e0; in func_pol()
17131 v4rho3lapl[4] = 0.0e0; in func_pol()
17134 v4rho3lapl[5] = 0.0e0; in func_pol()
17137 v4rho3lapl[6] = 0.0e0; in func_pol()
17140 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_xc_b98.c | 2377 …v4rho3lapl[0] = rho[0] * (t5195 + t5330) + 0.3e1 * t1995 + 0.6e1 * t1996 + 0.3e1 * t1998 - 0.23317… in func_unpol()
4806 …v4rho3lapl[0] = rho[0] * (t3812 + t3860) - 0.93270e-1 * t1485 + 0.23317500000000000000e-1 * t1490 … in func_ferr()
17805 v4rho3lapl[0] = t30006 + t30462; in func_pol()
17851 …v4rho3lapl[1] = t10 * (t30560 + t30599) + 0.3e1 * t9174 + 0.6e1 * t9138 + 0.3e1 * t9137 - 0.466350… in func_pol()
17920 v4rho3lapl[2] = t30889 + t30901 + t30908 + t30911; in func_pol()
17984 …v4rho3lapl[3] = t30913 - t9119 - t9121 - t9447 + t30914 + t30915 - t30916 - t30917 - t30918 - t309… in func_pol()
18017 …v4rho3lapl[4] = -t30616 - t30884 - t30885 - t30886 - t30887 - t30888 + t9401 + t30890 - t30891 - t… in func_pol()
18064 v4rho3lapl[5] = t31387 + t31651 + t31653 + t31655; in func_pol()
18096 …v4rho3lapl[6] = -t9375 / 0.2e1 + 0.3e1 * t9401 - t9259 + t10 * (t31749 + t31776) + 0.3e1 * t9435 +… in func_pol()
18196 v4rho3lapl[7] = t32220 + t32234; in func_pol()
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| H A D | mgga_c_m06l.c | 2796 v4rho3lapl[0] = 0.0e0; in func_unpol()
5094 v4rho3lapl[0] = 0.0e0; in func_ferr()
20540 v4rho3lapl[0] = 0.0e0; in func_pol()
20543 v4rho3lapl[1] = 0.0e0; in func_pol()
20546 v4rho3lapl[2] = 0.0e0; in func_pol()
20549 v4rho3lapl[3] = 0.0e0; in func_pol()
20552 v4rho3lapl[4] = 0.0e0; in func_pol()
20555 v4rho3lapl[5] = 0.0e0; in func_pol()
20558 v4rho3lapl[6] = 0.0e0; in func_pol()
20561 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_c_m08.c | 1622 v4rho3lapl[0] = 0.0e0; in func_unpol()
3491 v4rho3lapl[0] = 0.0e0; in func_ferr()
11579 v4rho3lapl[0] = 0.0e0; in func_pol()
11582 v4rho3lapl[1] = 0.0e0; in func_pol()
11585 v4rho3lapl[2] = 0.0e0; in func_pol()
11588 v4rho3lapl[3] = 0.0e0; in func_pol()
11591 v4rho3lapl[4] = 0.0e0; in func_pol()
11594 v4rho3lapl[5] = 0.0e0; in func_pol()
11597 v4rho3lapl[6] = 0.0e0; in func_pol()
11600 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_c_revscan.c | 1747 v4rho3lapl[0] = 0.0e0; in func_unpol()
3483 v4rho3lapl[0] = 0.0e0; in func_ferr()
17932 v4rho3lapl[0] = 0.0e0; in func_pol()
17935 v4rho3lapl[1] = 0.0e0; in func_pol()
17938 v4rho3lapl[2] = 0.0e0; in func_pol()
17941 v4rho3lapl[3] = 0.0e0; in func_pol()
17944 v4rho3lapl[4] = 0.0e0; in func_pol()
17947 v4rho3lapl[5] = 0.0e0; in func_pol()
17950 v4rho3lapl[6] = 0.0e0; in func_pol()
17953 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | hyb_mgga_xc_wb97mv.c | 2030 v4rho3lapl[0] = 0.0e0; in func_unpol()
3673 v4rho3lapl[0] = 0.0e0; in func_ferr()
19774 v4rho3lapl[0] = 0.0e0; in func_pol()
19777 v4rho3lapl[1] = 0.0e0; in func_pol()
19780 v4rho3lapl[2] = 0.0e0; in func_pol()
19783 v4rho3lapl[3] = 0.0e0; in func_pol()
19786 v4rho3lapl[4] = 0.0e0; in func_pol()
19789 v4rho3lapl[5] = 0.0e0; in func_pol()
19792 v4rho3lapl[6] = 0.0e0; in func_pol()
19795 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_scanl.c | 3355 …v4rho3lapl[0] = t8461 * t498 / 0.18e2 - t2182 * t1206 / 0.4e1 + 0.5497666666666666667e0 * t7213 * … in func_unpol()
8692 …v4rho3lapl[0] = t8290 * t478 / 0.9e1 - t2145 * t1174 / 0.2e1 + 0.5497666666666666667e0 * t8302 * t… in func_ferr()
19515 v4rho3lapl[0] = t22335 + t22388; in func_pol()
19523 …v4rho3lapl[1] = -0.2e1 / 0.3e1 * t22390 - 0.2e1 / 0.3e1 * t22394 - 0.2e1 * t22397 + t22401 + t2220… in func_pol()
19540 v4rho3lapl[2] = t22446 + t22478; in func_pol()
19555 …v4rho3lapl[3] = -0.10995333333333333333e1 * t22482 - t22486 + t2220 * t22402 * t4310 / 0.9e1 - 0.2… in func_pol()
19560 …v4rho3lapl[4] = -0.4e1 / 0.9e1 * t22443 - t22471 - t22425 - t22415 - 0.4e1 / 0.3e1 * t22428 - 0.2e… in func_pol()
19580 v4rho3lapl[5] = t22586 + t22622; in func_pol()
19583 …v4rho3lapl[6] = -0.2e1 / 0.3e1 * t22443 - 0.2e1 / 0.3e1 * t22531 - 0.2e1 * t22544 + t22302 + t2220… in func_pol()
19785 v4rho3lapl[7] = t23841 + t23883; in func_pol()
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| H A D | hyb_mgga_x_js18.c | 2947 v4rho3lapl[0] = 0.0e0; in func_unpol()
7130 v4rho3lapl[0] = 0.0e0; in func_ferr()
20843 v4rho3lapl[0] = 0.0e0; in func_pol()
20846 v4rho3lapl[1] = 0.0e0; in func_pol()
20849 v4rho3lapl[2] = 0.0e0; in func_pol()
20852 v4rho3lapl[3] = 0.0e0; in func_pol()
20855 v4rho3lapl[4] = 0.0e0; in func_pol()
20858 v4rho3lapl[5] = 0.0e0; in func_pol()
20861 v4rho3lapl[6] = 0.0e0; in func_pol()
20864 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_rscan.c | 4811 v4rho3lapl[0] = 0.0e0; in func_unpol()
11599 v4rho3lapl[0] = 0.0e0; in func_ferr()
25602 v4rho3lapl[0] = 0.0e0; in func_pol()
25605 v4rho3lapl[1] = 0.0e0; in func_pol()
25608 v4rho3lapl[2] = 0.0e0; in func_pol()
25611 v4rho3lapl[3] = 0.0e0; in func_pol()
25614 v4rho3lapl[4] = 0.0e0; in func_pol()
25617 v4rho3lapl[5] = 0.0e0; in func_pol()
25620 v4rho3lapl[6] = 0.0e0; in func_pol()
25623 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_c_kcis.c | 2468 v4rho3lapl[0] = 0.0e0; in func_unpol()
4189 v4rho3lapl[0] = 0.0e0; in func_ferr()
29455 v4rho3lapl[0] = 0.0e0; in func_pol()
29458 v4rho3lapl[1] = 0.0e0; in func_pol()
29461 v4rho3lapl[2] = 0.0e0; in func_pol()
29464 v4rho3lapl[3] = 0.0e0; in func_pol()
29467 v4rho3lapl[4] = 0.0e0; in func_pol()
29470 v4rho3lapl[5] = 0.0e0; in func_pol()
29473 v4rho3lapl[6] = 0.0e0; in func_pol()
29476 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_mbeefvdw.c | 4644 v4rho3lapl[0] = 0.0e0; in func_unpol()
13018 v4rho3lapl[0] = 0.0e0; in func_ferr()
26861 v4rho3lapl[0] = 0.0e0; in func_pol()
26864 v4rho3lapl[1] = 0.0e0; in func_pol()
26867 v4rho3lapl[2] = 0.0e0; in func_pol()
26870 v4rho3lapl[3] = 0.0e0; in func_pol()
26873 v4rho3lapl[4] = 0.0e0; in func_pol()
26876 v4rho3lapl[5] = 0.0e0; in func_pol()
26879 v4rho3lapl[6] = 0.0e0; in func_pol()
26882 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_mbrxh_bg.c | 3071 v4rho3lapl[0] = 0.0e0; in func_unpol()
8747 v4rho3lapl[0] = 0.0e0; in func_ferr()
25428 v4rho3lapl[0] = 0.0e0; in func_pol()
25431 v4rho3lapl[1] = 0.0e0; in func_pol()
25434 v4rho3lapl[2] = 0.0e0; in func_pol()
25437 v4rho3lapl[3] = 0.0e0; in func_pol()
25440 v4rho3lapl[4] = 0.0e0; in func_pol()
25443 v4rho3lapl[5] = 0.0e0; in func_pol()
25446 v4rho3lapl[6] = 0.0e0; in func_pol()
25449 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_c_scanl.c | 3597 …v4rho3lapl[0] = rho[0] * t9688 * t193 + 0.6e1 * t1274 * t396 + 0.3e1 * t1275 * t923 + 0.3e1 * t332… in func_unpol()
8973 …v4rho3lapl[0] = rho[0] * t9444 * t166 + 0.6e1 * t1145 * t342 + 0.3e1 * t1146 * t808 + 0.3e1 * t311… in func_ferr()
26938 …v4rho3lapl[0] = t356 * t39354 * t8 + t1067 * t5746 + 0.3e1 * t10863 * t691 + 0.3e1 * t1797 * t3270… in func_pol()
26971 …v4rho3lapl[1] = t356 * t39683 * t8 + 0.3e1 * t10998 * t691 + t1116 * t5746 + 0.3e1 * t1797 * t3317… in func_pol()
27065 …v4rho3lapl[2] = t356 * t40432 * t8 + t1067 * t6321 + t10863 * t855 + 0.2e1 * t11201 * t691 + t1797… in func_pol()
27127 …v4rho3lapl[3] = t356 * t41095 * t8 + t10998 * t855 + t1116 * t6321 + 0.2e1 * t11400 * t691 + t1797… in func_pol()
27195 …v4rho3lapl[4] = t356 * t41757 * t8 + t1067 * t7019 + 0.2e1 * t11201 * t855 + t11525 * t691 + 0.2e1… in func_pol()
27247 …v4rho3lapl[5] = t356 * t42455 * t8 + t1116 * t7019 + 0.2e1 * t11400 * t855 + t11989 * t691 + 0.2e1… in func_pol()
27272 …v4rho3lapl[6] = t356 * t42774 * t8 + t1067 * t7955 + 0.3e1 * t11525 * t855 + 0.3e1 * t2237 * t3358… in func_pol()
27452 …v4rho3lapl[7] = t356 * t44087 * t8 + t1116 * t7955 + 0.3e1 * t11989 * t855 + 0.3e1 * t2237 * t3503… in func_pol()
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| H A D | mgga_c_tpss.c | 1575 v4rho3lapl[0] = 0.0e0; in func_unpol()
3033 v4rho3lapl[0] = 0.0e0; in func_ferr()
23691 v4rho3lapl[0] = 0.0e0; in func_pol()
23694 v4rho3lapl[1] = 0.0e0; in func_pol()
23697 v4rho3lapl[2] = 0.0e0; in func_pol()
23700 v4rho3lapl[3] = 0.0e0; in func_pol()
23703 v4rho3lapl[4] = 0.0e0; in func_pol()
23706 v4rho3lapl[5] = 0.0e0; in func_pol()
23709 v4rho3lapl[6] = 0.0e0; in func_pol()
23712 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_br89_explicit.c | 3965 v4rho3lapl[0] = t10147 + t10175 + t10943 + t11000 + t11029 + t11060 + t11089 + t11124; in func_unpol()
10807 v4rho3lapl[0] = t9935 + t9971 + t9999 + t10766 + t10796 + t10834 + t10892 + t10923; in func_ferr()
27237 v4rho3lapl[0] = t26145 + t26161 + t26178 + t27414; in func_pol()
27259 …v4rho3lapl[1] = -0.4e1 * t6771 + t27417 - 0.19527891834153643506e1 * t6760 + t27419 - 0.6509297278… in func_pol()
27314 v4rho3lapl[2] = t27492 + t27502 + t27791 + t27795; in func_pol()
27375 …v4rho3lapl[3] = -t27797 + t27798 - t27799 - t27800 + t7318 + t7319 + t7320 - t7321 - t7322 + 0.650… in func_pol()
27390 …v4rho3lapl[4] = t3 * (t28036 + t28076 + t28102 + t28122) - t6950 - t6953 - t6956 - t6960 + t6275 +… in func_pol()
27458 v4rho3lapl[5] = t28143 + t28149 + t28445 + t28446; in func_pol()
27462 …v4rho3lapl[6] = -0.19527891834153643506e1 * t6952 - 0.4e1 * t6959 - 0.65092972780512145020e0 * t69… in func_pol()
27623 v4rho3lapl[7] = t28512 + t28526 + t29686 + t29702; in func_pol()
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| H A D | mgga_c_revtpss.c | 2304 v4rho3lapl[0] = 0.0e0; in func_unpol()
4200 v4rho3lapl[0] = 0.0e0; in func_ferr()
32433 v4rho3lapl[0] = 0.0e0; in func_pol()
32436 v4rho3lapl[1] = 0.0e0; in func_pol()
32439 v4rho3lapl[2] = 0.0e0; in func_pol()
32442 v4rho3lapl[3] = 0.0e0; in func_pol()
32445 v4rho3lapl[4] = 0.0e0; in func_pol()
32448 v4rho3lapl[5] = 0.0e0; in func_pol()
32451 v4rho3lapl[6] = 0.0e0; in func_pol()
32454 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_c_tpssloc.c | 1912 v4rho3lapl[0] = 0.0e0; in func_unpol()
3588 v4rho3lapl[0] = 0.0e0; in func_ferr()
31245 v4rho3lapl[0] = 0.0e0; in func_pol()
31248 v4rho3lapl[1] = 0.0e0; in func_pol()
31251 v4rho3lapl[2] = 0.0e0; in func_pol()
31254 v4rho3lapl[3] = 0.0e0; in func_pol()
31257 v4rho3lapl[4] = 0.0e0; in func_pol()
31260 v4rho3lapl[5] = 0.0e0; in func_pol()
31263 v4rho3lapl[6] = 0.0e0; in func_pol()
31266 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_mbrxc_bg.c | 5867 v4rho3lapl[0] = 0.0e0; in func_unpol()
17474 v4rho3lapl[0] = 0.0e0; in func_ferr()
46743 v4rho3lapl[0] = 0.0e0; in func_pol()
46746 v4rho3lapl[1] = 0.0e0; in func_pol()
46749 v4rho3lapl[2] = 0.0e0; in func_pol()
46752 v4rho3lapl[3] = 0.0e0; in func_pol()
46755 v4rho3lapl[4] = 0.0e0; in func_pol()
46758 v4rho3lapl[5] = 0.0e0; in func_pol()
46761 v4rho3lapl[6] = 0.0e0; in func_pol()
46764 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_mbeef.c | 7632 v4rho3lapl[0] = 0.0e0; in func_unpol()
21649 v4rho3lapl[0] = 0.0e0; in func_ferr()
44052 v4rho3lapl[0] = 0.0e0; in func_pol()
44055 v4rho3lapl[1] = 0.0e0; in func_pol()
44058 v4rho3lapl[2] = 0.0e0; in func_pol()
44061 v4rho3lapl[3] = 0.0e0; in func_pol()
44064 v4rho3lapl[4] = 0.0e0; in func_pol()
44067 v4rho3lapl[5] = 0.0e0; in func_pol()
44070 v4rho3lapl[6] = 0.0e0; in func_pol()
44073 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_mggac.c | 6259 v4rho3lapl[0] = 0.0e0; in func_unpol()
17880 v4rho3lapl[0] = 0.0e0; in func_ferr()
48246 v4rho3lapl[0] = 0.0e0; in func_pol()
48249 v4rho3lapl[1] = 0.0e0; in func_pol()
48252 v4rho3lapl[2] = 0.0e0; in func_pol()
48255 v4rho3lapl[3] = 0.0e0; in func_pol()
48258 v4rho3lapl[4] = 0.0e0; in func_pol()
48261 v4rho3lapl[5] = 0.0e0; in func_pol()
48264 v4rho3lapl[6] = 0.0e0; in func_pol()
48267 v4rho3lapl[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_br89.c | 5778 …v4rho3lapl[0] = t13076 + t12963 + t12038 + t13042 + t13152 + t12746 + t11956 + t12896 + t13227 + t… in func_unpol()
19585 …v4rho3lapl[0] = t13345 + t13278 + t11987 + t12197 + t12654 + t12233 + t12592 + t12472 + t12621 + t… in func_ferr()
52876 v4rho3lapl[0] = t35448 + t35467 + t35487 + t35506 + t35524 + t35541 + t37430 + t37446; in func_pol()
52898 …v4rho3lapl[1] = t3 * (-0.8e1 / 0.27e2 * t24139 * t437 * t24141 + 0.4e1 / 0.9e1 * t37452 + 0.4e1 / … in func_pol()
53008 …v4rho3lapl[2] = t38183 + t37587 + t37580 - t37568 - t37569 + t37565 + t37558 + t37546 + t37548 + t… in func_pol()
53113 v4rho3lapl[3] = t38457 + t38469 + t38473 + t38481; in func_pol()
53136 v4rho3lapl[4] = t38483 + t38666 + t38671 + t38672; in func_pol()
53340 …v4rho3lapl[5] = t39411 + t38721 + t38719 + t38715 + t38699 + t38685 + t38687 + t38688 + t38680 + t… in func_pol()
53344 …v4rho3lapl[6] = t3 * (0.4e1 / 0.3e1 * t540 * t415 * t33268 - 0.4e1 / 0.9e1 * t1501 * t26424 + 0.8e… in func_pol()
53529 v4rho3lapl[7] = t39476 + t39492 + t39510 + t39527 + t39547 + t39565 + t41247 + t41266; in func_pol()
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| H A D | mgga_c_rscan.c | 5207 v4rho3lapl[0] = 0.0e0; in func_unpol()
12111 v4rho3lapl[0] = 0.0e0; in func_ferr()
56866 v4rho3lapl[0] = 0.0e0; in func_pol()
56869 v4rho3lapl[1] = 0.0e0; in func_pol()
56872 v4rho3lapl[2] = 0.0e0; in func_pol()
56875 v4rho3lapl[3] = 0.0e0; in func_pol()
56878 v4rho3lapl[4] = 0.0e0; in func_pol()
56881 v4rho3lapl[5] = 0.0e0; in func_pol()
56884 v4rho3lapl[6] = 0.0e0; in func_pol()
56887 v4rho3lapl[7] = 0.0e0; in func_pol()
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