| /dports/science/libxc/libxc-5.0.0/src/ |
| H A D | util.c | 274 dim->v3rhotau2 = dim->v3lapl2tau = dim->v3lapltau2 = dim->v3rholapltau = 1; in internal_counters_set_mgga()
312 dim->v3lapltau2 = 2*3; in internal_counters_set_mgga()
560 *v3lapltau2 += pos*dim->v3lapltau2 + offset; in internal_counters_mgga_random()
654 *v3lapltau2 += dim->v3lapltau2 + offset; in internal_counters_mgga_next()
748 *v3lapltau2 -= dim->v3lapltau2 + offset; in internal_counters_mgga_prev()
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| H A D | libxc_master.F90 | 635 v3lapltau2(*), v3tau3(*) local
692 v3lapltau2(*), v3tau3(*) local
1336 v3lapltau2(*), v3tau3(*) local
1404 v3lapltau2, v3tau3) argument
1415 v3lapltau2(*), v3tau3(*) local
1423 v3lapltau2, v3tau3)
1457 v3lapltau2, v3tau3) argument
1468 v3lapltau2(*), v3tau3(*) local
1476 v3lapltau2, v3tau3)
1498 v3lapltau2, v3tau3) argument
[all …]
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| H A D | xc.h | 102 P_ v3lapl2tau, P_ v3lapltau2, P_ v3tau3, \
320 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2,
337 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2,
349 double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2,
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| H A D | mgga.c | 309 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2, in xc_mgga_exc_vxc_fxc_kxc() argument
317 v3lapltau2, v3tau3, in xc_mgga_exc_vxc_fxc_kxc()
335 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2, in xc_mgga_vxc_fxc_kxc() argument
343 v3lapltau2, v3tau3, in xc_mgga_vxc_fxc_kxc()
394 double *v3lapl3, double *v3lapl2tau, double *v3lapltau2, double *v3tau3) in xc_mgga_kxc() argument
401 v3lapltau2, v3tau3, in xc_mgga_kxc()
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| H A D | mix_func.c | 231 v3lapltau2_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3lapltau2); in xc_mix_func()
379 sum_var(v3lapltau2); in xc_mix_func()
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| /dports/science/elk/elk-7.2.42/src/ |
| H A D | libxcf90.f90 | 1210 v3lapltau2, v3tau3, &
1964 v3lapltau2, v3tau3, & argument
1983 v3lapltau2(*), v3tau3(*) local
1999 v3lapltau2, v3tau3, &
2051 v3lapltau2, v3tau3) argument
2062 v3lapltau2(*), v3tau3(*) local
2070 v3lapltau2, v3tau3)
2104 v3lapltau2, v3tau3) argument
2123 v3lapltau2, v3tau3)
2145 v3lapltau2, v3tau3) argument
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_xc_lp90.c | 199 v3lapltau2[0] = 0.0e0; in func_unpol()
514 v3lapltau2[0] = 0.0e0; in func_ferr()
1648 v3lapltau2[0] = 0.0e0; in func_pol()
1651 v3lapltau2[1] = 0.0e0; in func_pol()
1654 v3lapltau2[2] = 0.0e0; in func_pol()
1657 v3lapltau2[3] = 0.0e0; in func_pol()
1660 v3lapltau2[4] = 0.0e0; in func_pol()
1663 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_xc_zlp.c | 228 v3lapltau2[0] = 0.0e0; in func_unpol()
574 v3lapltau2[0] = 0.0e0; in func_ferr()
1744 v3lapltau2[0] = 0.0e0; in func_pol()
1747 v3lapltau2[1] = 0.0e0; in func_pol()
1750 v3lapltau2[2] = 0.0e0; in func_pol()
1753 v3lapltau2[3] = 0.0e0; in func_pol()
1756 v3lapltau2[4] = 0.0e0; in func_pol()
1759 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_gdme.c | 214 v3lapltau2[0] = 0.0e0; in func_unpol()
543 v3lapltau2[0] = 0.0e0; in func_ferr()
1989 v3lapltau2[0] = 0.0e0; in func_pol()
1992 v3lapltau2[1] = 0.0e0; in func_pol()
1995 v3lapltau2[2] = 0.0e0; in func_pol()
1998 v3lapltau2[3] = 0.0e0; in func_pol()
2001 v3lapltau2[4] = 0.0e0; in func_pol()
2004 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_lta.c | 212 v3lapltau2[0] = 0.0e0; in func_unpol()
542 v3lapltau2[0] = 0.0e0; in func_ferr()
1979 v3lapltau2[0] = 0.0e0; in func_pol()
1982 v3lapltau2[1] = 0.0e0; in func_pol()
1985 v3lapltau2[2] = 0.0e0; in func_pol()
1988 v3lapltau2[3] = 0.0e0; in func_pol()
1991 v3lapltau2[4] = 0.0e0; in func_pol()
1994 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_rlda.c | 282 v3lapltau2[0] = -0.3e1 / 0.16e2 * t40 * t285; in func_unpol()
710 v3lapltau2[0] = -0.3e1 / 0.8e1 * t34 * t274; in func_ferr()
2252 v3lapltau2[0] = -0.3e1 / 0.8e1 * t145 * t1293; in func_pol()
2255 v3lapltau2[1] = 0.0e0; in func_pol()
2258 v3lapltau2[2] = 0.0e0; in func_pol()
2261 v3lapltau2[3] = 0.0e0; in func_pol()
2264 v3lapltau2[4] = 0.0e0; in func_pol()
2269 v3lapltau2[5] = -0.3e1 / 0.8e1 * t145 * t1298; in func_pol()
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| H A D | mgga_c_cs.c | 237 v3lapltau2[0] = 0.0e0; in func_unpol()
498 v3lapltau2[0] = 0.0e0; in func_ferr()
2114 v3lapltau2[0] = 0.0e0; in func_pol()
2117 v3lapltau2[1] = 0.0e0; in func_pol()
2120 v3lapltau2[2] = 0.0e0; in func_pol()
2123 v3lapltau2[3] = 0.0e0; in func_pol()
2126 v3lapltau2[4] = 0.0e0; in func_pol()
2129 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_2d_js17.c | 284 v3lapltau2[0] = 0.0e0; in func_unpol()
695 v3lapltau2[0] = 0.0e0; in func_ferr()
2293 v3lapltau2[0] = 0.0e0; in func_pol()
2296 v3lapltau2[1] = 0.0e0; in func_pol()
2299 v3lapltau2[2] = 0.0e0; in func_pol()
2302 v3lapltau2[3] = 0.0e0; in func_pol()
2305 v3lapltau2[4] = 0.0e0; in func_pol()
2308 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_gvt4.c | 423 v3lapltau2[0] = 0.0e0; in func_unpol()
1022 v3lapltau2[0] = 0.0e0; in func_ferr()
2864 v3lapltau2[0] = 0.0e0; in func_pol()
2867 v3lapltau2[1] = 0.0e0; in func_pol()
2870 v3lapltau2[2] = 0.0e0; in func_pol()
2873 v3lapltau2[3] = 0.0e0; in func_pol()
2876 v3lapltau2[4] = 0.0e0; in func_pol()
2879 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_pkzb.c | 360 v3lapltau2[0] = 0.0e0; in func_unpol()
849 v3lapltau2[0] = 0.0e0; in func_ferr()
2749 v3lapltau2[0] = 0.0e0; in func_pol()
2752 v3lapltau2[1] = 0.0e0; in func_pol()
2755 v3lapltau2[2] = 0.0e0; in func_pol()
2758 v3lapltau2[3] = 0.0e0; in func_pol()
2761 v3lapltau2[4] = 0.0e0; in func_pol()
2764 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | hyb_mgga_x_dldf.c | 376 v3lapltau2[0] = 0.0e0; in func_unpol()
876 v3lapltau2[0] = 0.0e0; in func_ferr()
2934 v3lapltau2[0] = 0.0e0; in func_pol()
2937 v3lapltau2[1] = 0.0e0; in func_pol()
2940 v3lapltau2[2] = 0.0e0; in func_pol()
2943 v3lapltau2[3] = 0.0e0; in func_pol()
2946 v3lapltau2[4] = 0.0e0; in func_pol()
2949 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_xc_cc06.c | 331 v3lapltau2[0] = 0.0e0; in func_unpol()
796 v3lapltau2[0] = 0.0e0; in func_ferr()
2719 v3lapltau2[0] = 0.0e0; in func_pol()
2722 v3lapltau2[1] = 0.0e0; in func_pol()
2725 v3lapltau2[2] = 0.0e0; in func_pol()
2728 v3lapltau2[3] = 0.0e0; in func_pol()
2731 v3lapltau2[4] = 0.0e0; in func_pol()
2734 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_tau_hcth.c | 466 v3lapltau2[0] = 0.0e0; in func_unpol()
1097 v3lapltau2[0] = 0.0e0; in func_ferr()
3050 v3lapltau2[0] = 0.0e0; in func_pol()
3053 v3lapltau2[1] = 0.0e0; in func_pol()
3056 v3lapltau2[2] = 0.0e0; in func_pol()
3059 v3lapltau2[3] = 0.0e0; in func_pol()
3062 v3lapltau2[4] = 0.0e0; in func_pol()
3065 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_gx.c | 820 v3lapltau2[0] = 0.0e0; in func_unpol()
1944 v3lapltau2[0] = 0.0e0; in func_ferr()
4595 v3lapltau2[0] = 0.0e0; in func_pol()
4598 v3lapltau2[1] = 0.0e0; in func_pol()
4601 v3lapltau2[2] = 0.0e0; in func_pol()
4604 v3lapltau2[3] = 0.0e0; in func_pol()
4607 v3lapltau2[4] = 0.0e0; in func_pol()
4610 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | hyb_mgga_x_m05.c | 713 v3lapltau2[0] = 0.0e0; in func_unpol()
1749 v3lapltau2[0] = 0.0e0; in func_ferr()
4666 v3lapltau2[0] = 0.0e0; in func_pol()
4669 v3lapltau2[1] = 0.0e0; in func_pol()
4672 v3lapltau2[2] = 0.0e0; in func_pol()
4675 v3lapltau2[3] = 0.0e0; in func_pol()
4678 v3lapltau2[4] = 0.0e0; in func_pol()
4681 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_mvs.c | 650 v3lapltau2[0] = 0.0e0; in func_unpol()
1522 v3lapltau2[0] = 0.0e0; in func_ferr()
4482 v3lapltau2[0] = 0.0e0; in func_pol()
4485 v3lapltau2[1] = 0.0e0; in func_pol()
4488 v3lapltau2[2] = 0.0e0; in func_pol()
4491 v3lapltau2[3] = 0.0e0; in func_pol()
4494 v3lapltau2[4] = 0.0e0; in func_pol()
4497 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_pbe_gx.c | 883 v3lapltau2[0] = 0.0e0; in func_unpol()
2052 v3lapltau2[0] = 0.0e0; in func_ferr()
5387 v3lapltau2[0] = 0.0e0; in func_pol()
5390 v3lapltau2[1] = 0.0e0; in func_pol()
5393 v3lapltau2[2] = 0.0e0; in func_pol()
5396 v3lapltau2[3] = 0.0e0; in func_pol()
5399 v3lapltau2[4] = 0.0e0; in func_pol()
5402 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_m06l.c | 936 v3lapltau2[0] = 0.0e0; in func_unpol()
2275 v3lapltau2[0] = 0.0e0; in func_ferr()
5403 v3lapltau2[0] = 0.0e0; in func_pol()
5406 v3lapltau2[1] = 0.0e0; in func_pol()
5409 v3lapltau2[2] = 0.0e0; in func_pol()
5412 v3lapltau2[3] = 0.0e0; in func_pol()
5415 v3lapltau2[4] = 0.0e0; in func_pol()
5418 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_mvsb.c | 808 v3lapltau2[0] = 0.0e0; in func_unpol()
1904 v3lapltau2[0] = 0.0e0; in func_ferr()
5275 v3lapltau2[0] = 0.0e0; in func_pol()
5278 v3lapltau2[1] = 0.0e0; in func_pol()
5281 v3lapltau2[2] = 0.0e0; in func_pol()
5284 v3lapltau2[3] = 0.0e0; in func_pol()
5287 v3lapltau2[4] = 0.0e0; in func_pol()
5290 v3lapltau2[5] = 0.0e0; in func_pol()
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| H A D | mgga_x_ms.c | 918 v3lapltau2[0] = 0.0e0; in func_unpol()
2257 v3lapltau2[0] = 0.0e0; in func_ferr()
5300 v3lapltau2[0] = 0.0e0; in func_pol()
5303 v3lapltau2[1] = 0.0e0; in func_pol()
5306 v3lapltau2[2] = 0.0e0; in func_pol()
5309 v3lapltau2[3] = 0.0e0; in func_pol()
5312 v3lapltau2[4] = 0.0e0; in func_pol()
5315 v3lapltau2[5] = 0.0e0; in func_pol()
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