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Searched refs:v3sigmalapl2 (Results 1 – 25 of 71) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c111 assert(v3sigmalapl2 != NULL); in xc_mgga()
134 libxc_memset(v3sigmalapl2, 0, dim->v3sigmalapl2 *np*sizeof(double)); in xc_mgga()
308 … double *v3sigma2lapl, double *v3sigma2tau, double *v3sigmalapl2, double *v3sigmalapltau, in xc_mgga_exc_vxc_fxc_kxc() argument
316 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, in xc_mgga_exc_vxc_fxc_kxc()
334 … double *v3sigma2lapl, double *v3sigma2tau, double *v3sigmalapl2, double *v3sigmalapltau, in xc_mgga_vxc_fxc_kxc() argument
342 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, in xc_mgga_vxc_fxc_kxc()
393 double *v3sigmalapl2, double *v3sigmalapltau, double *v3sigmatau2, in xc_mgga_kxc() argument
400 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, in xc_mgga_kxc()
H A Dutil.c275 dim->v3sigmalapl2 = dim->v3sigmatau2 = dim->v3sigma2lapl = dim->v3sigma2tau = 1; in internal_counters_set_mgga()
307 dim->v3sigmalapl2 = 3*3; in internal_counters_set_mgga()
556 *v3sigmalapl2 += pos*dim->v3sigmalapl2 + offset; in internal_counters_mgga_random()
650 *v3sigmalapl2 += dim->v3sigmalapl2 + offset; in internal_counters_mgga_next()
744 *v3sigmalapl2 -= dim->v3sigmalapl2 + offset; in internal_counters_mgga_prev()
H A Dlibxc_master.F90614 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
679 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
720 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
750 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1316 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1351 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1403 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1422 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1456 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1475 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
[all …]
H A Dxc.h101 P_ v3sigmalapl2, P_ v3sigmalapltau, P_ v3sigmatau2, P_ v3lapl3, \
319 … double *v3sigma2lapl, double *v3sigma2tau, double *v3sigmalapl2, double *v3sigmalapltau,
336 … double *v3sigma2lapl, double *v3sigma2tau, double *v3sigmalapl2, double *v3sigmalapltau,
348 double *v3sigma2lapl, double *v3sigma2tau, double *v3sigmalapl2, double *v3sigmalapltau,
H A Dmix_func.c226 v3sigmalapl2_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3sigmalapl2); in xc_mix_func()
375 sum_var(v3sigmalapl2); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901209 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1274 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1315 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1345 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1963 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1998 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
2050 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
2069 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
2103 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
2122 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c184 v3sigmalapl2[0] = 0.0e0; in func_unpol()
499 v3sigmalapl2[0] = 0.0e0; in func_ferr()
1528 v3sigmalapl2[0] = 0.0e0; in func_pol()
1531 v3sigmalapl2[1] = 0.0e0; in func_pol()
1534 v3sigmalapl2[2] = 0.0e0; in func_pol()
1537 v3sigmalapl2[3] = 0.0e0; in func_pol()
1540 v3sigmalapl2[4] = 0.0e0; in func_pol()
1543 v3sigmalapl2[5] = 0.0e0; in func_pol()
1546 v3sigmalapl2[6] = 0.0e0; in func_pol()
1549 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c213 v3sigmalapl2[0] = 0.0e0; in func_unpol()
559 v3sigmalapl2[0] = 0.0e0; in func_ferr()
1624 v3sigmalapl2[0] = 0.0e0; in func_pol()
1627 v3sigmalapl2[1] = 0.0e0; in func_pol()
1630 v3sigmalapl2[2] = 0.0e0; in func_pol()
1633 v3sigmalapl2[3] = 0.0e0; in func_pol()
1636 v3sigmalapl2[4] = 0.0e0; in func_pol()
1639 v3sigmalapl2[5] = 0.0e0; in func_pol()
1642 v3sigmalapl2[6] = 0.0e0; in func_pol()
1645 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c199 v3sigmalapl2[0] = 0.0e0; in func_unpol()
528 v3sigmalapl2[0] = 0.0e0; in func_ferr()
1869 v3sigmalapl2[0] = 0.0e0; in func_pol()
1872 v3sigmalapl2[1] = 0.0e0; in func_pol()
1875 v3sigmalapl2[2] = 0.0e0; in func_pol()
1878 v3sigmalapl2[3] = 0.0e0; in func_pol()
1881 v3sigmalapl2[4] = 0.0e0; in func_pol()
1884 v3sigmalapl2[5] = 0.0e0; in func_pol()
1887 v3sigmalapl2[6] = 0.0e0; in func_pol()
1890 v3sigmalapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_lta.c197 v3sigmalapl2[0] = 0.0e0; in func_unpol()
527 v3sigmalapl2[0] = 0.0e0; in func_ferr()
1859 v3sigmalapl2[0] = 0.0e0; in func_pol()
1862 v3sigmalapl2[1] = 0.0e0; in func_pol()
1865 v3sigmalapl2[2] = 0.0e0; in func_pol()
1868 v3sigmalapl2[3] = 0.0e0; in func_pol()
1871 v3sigmalapl2[4] = 0.0e0; in func_pol()
1874 v3sigmalapl2[5] = 0.0e0; in func_pol()
1877 v3sigmalapl2[6] = 0.0e0; in func_pol()
1880 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c258 v3sigmalapl2[0] = 0.0e0; in func_unpol()
686 v3sigmalapl2[0] = 0.0e0; in func_ferr()
2116 v3sigmalapl2[0] = 0.0e0; in func_pol()
2119 v3sigmalapl2[1] = 0.0e0; in func_pol()
2122 v3sigmalapl2[2] = 0.0e0; in func_pol()
2125 v3sigmalapl2[3] = 0.0e0; in func_pol()
2128 v3sigmalapl2[4] = 0.0e0; in func_pol()
2131 v3sigmalapl2[5] = 0.0e0; in func_pol()
2134 v3sigmalapl2[6] = 0.0e0; in func_pol()
2137 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c222 v3sigmalapl2[0] = 0.0e0; in func_unpol()
483 v3sigmalapl2[0] = 0.0e0; in func_ferr()
1994 v3sigmalapl2[0] = 0.0e0; in func_pol()
1997 v3sigmalapl2[1] = 0.0e0; in func_pol()
2000 v3sigmalapl2[2] = 0.0e0; in func_pol()
2003 v3sigmalapl2[3] = 0.0e0; in func_pol()
2006 v3sigmalapl2[4] = 0.0e0; in func_pol()
2009 v3sigmalapl2[5] = 0.0e0; in func_pol()
2012 v3sigmalapl2[6] = 0.0e0; in func_pol()
2015 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c269 v3sigmalapl2[0] = 0.0e0; in func_unpol()
680 v3sigmalapl2[0] = 0.0e0; in func_ferr()
2173 v3sigmalapl2[0] = 0.0e0; in func_pol()
2176 v3sigmalapl2[1] = 0.0e0; in func_pol()
2179 v3sigmalapl2[2] = 0.0e0; in func_pol()
2182 v3sigmalapl2[3] = 0.0e0; in func_pol()
2185 v3sigmalapl2[4] = 0.0e0; in func_pol()
2188 v3sigmalapl2[5] = 0.0e0; in func_pol()
2191 v3sigmalapl2[6] = 0.0e0; in func_pol()
2194 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c402 v3sigmalapl2[0] = 0.0e0; in func_unpol()
1001 v3sigmalapl2[0] = 0.0e0; in func_ferr()
2732 v3sigmalapl2[0] = 0.0e0; in func_pol()
2735 v3sigmalapl2[1] = 0.0e0; in func_pol()
2738 v3sigmalapl2[2] = 0.0e0; in func_pol()
2741 v3sigmalapl2[3] = 0.0e0; in func_pol()
2744 v3sigmalapl2[4] = 0.0e0; in func_pol()
2747 v3sigmalapl2[5] = 0.0e0; in func_pol()
2750 v3sigmalapl2[6] = 0.0e0; in func_pol()
2753 v3sigmalapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_pkzb.c342 v3sigmalapl2[0] = 0.0e0; in func_unpol()
832 v3sigmalapl2[0] = 0.0e0; in func_ferr()
2617 v3sigmalapl2[0] = 0.0e0; in func_pol()
2620 v3sigmalapl2[1] = 0.0e0; in func_pol()
2623 v3sigmalapl2[2] = 0.0e0; in func_pol()
2626 v3sigmalapl2[3] = 0.0e0; in func_pol()
2629 v3sigmalapl2[4] = 0.0e0; in func_pol()
2632 v3sigmalapl2[5] = 0.0e0; in func_pol()
2635 v3sigmalapl2[6] = 0.0e0; in func_pol()
2638 v3sigmalapl2[7] = 0.0e0; in func_pol()
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H A Dhyb_mgga_x_dldf.c360 v3sigmalapl2[0] = 0.0e0; in func_unpol()
860 v3sigmalapl2[0] = 0.0e0; in func_ferr()
2812 v3sigmalapl2[0] = 0.0e0; in func_pol()
2815 v3sigmalapl2[1] = 0.0e0; in func_pol()
2818 v3sigmalapl2[2] = 0.0e0; in func_pol()
2821 v3sigmalapl2[3] = 0.0e0; in func_pol()
2824 v3sigmalapl2[4] = 0.0e0; in func_pol()
2827 v3sigmalapl2[5] = 0.0e0; in func_pol()
2830 v3sigmalapl2[6] = 0.0e0; in func_pol()
2833 v3sigmalapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_xc_cc06.c314 v3sigmalapl2[0] = 0.0e0; in func_unpol()
779 v3sigmalapl2[0] = 0.0e0; in func_ferr()
2578 v3sigmalapl2[0] = 0.0e0; in func_pol()
2581 v3sigmalapl2[1] = 0.0e0; in func_pol()
2584 v3sigmalapl2[2] = 0.0e0; in func_pol()
2587 v3sigmalapl2[3] = 0.0e0; in func_pol()
2590 v3sigmalapl2[4] = 0.0e0; in func_pol()
2593 v3sigmalapl2[5] = 0.0e0; in func_pol()
2596 v3sigmalapl2[6] = 0.0e0; in func_pol()
2599 v3sigmalapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_tau_hcth.c450 v3sigmalapl2[0] = 0.0e0; in func_unpol()
1081 v3sigmalapl2[0] = 0.0e0; in func_ferr()
2928 v3sigmalapl2[0] = 0.0e0; in func_pol()
2931 v3sigmalapl2[1] = 0.0e0; in func_pol()
2934 v3sigmalapl2[2] = 0.0e0; in func_pol()
2937 v3sigmalapl2[3] = 0.0e0; in func_pol()
2940 v3sigmalapl2[4] = 0.0e0; in func_pol()
2943 v3sigmalapl2[5] = 0.0e0; in func_pol()
2946 v3sigmalapl2[6] = 0.0e0; in func_pol()
2949 v3sigmalapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gx.c783 v3sigmalapl2[0] = 0.0e0; in func_unpol()
1909 v3sigmalapl2[0] = 0.0e0; in func_ferr()
4435 v3sigmalapl2[0] = 0.0e0; in func_pol()
4438 v3sigmalapl2[1] = 0.0e0; in func_pol()
4441 v3sigmalapl2[2] = 0.0e0; in func_pol()
4444 v3sigmalapl2[3] = 0.0e0; in func_pol()
4447 v3sigmalapl2[4] = 0.0e0; in func_pol()
4450 v3sigmalapl2[5] = 0.0e0; in func_pol()
4453 v3sigmalapl2[6] = 0.0e0; in func_pol()
4456 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c697 v3sigmalapl2[0] = 0.0e0; in func_unpol()
1733 v3sigmalapl2[0] = 0.0e0; in func_ferr()
4544 v3sigmalapl2[0] = 0.0e0; in func_pol()
4547 v3sigmalapl2[1] = 0.0e0; in func_pol()
4550 v3sigmalapl2[2] = 0.0e0; in func_pol()
4553 v3sigmalapl2[3] = 0.0e0; in func_pol()
4556 v3sigmalapl2[4] = 0.0e0; in func_pol()
4559 v3sigmalapl2[5] = 0.0e0; in func_pol()
4562 v3sigmalapl2[6] = 0.0e0; in func_pol()
4565 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c624 v3sigmalapl2[0] = 0.0e0; in func_unpol()
1499 v3sigmalapl2[0] = 0.0e0; in func_ferr()
4346 v3sigmalapl2[0] = 0.0e0; in func_pol()
4349 v3sigmalapl2[1] = 0.0e0; in func_pol()
4352 v3sigmalapl2[2] = 0.0e0; in func_pol()
4355 v3sigmalapl2[3] = 0.0e0; in func_pol()
4358 v3sigmalapl2[4] = 0.0e0; in func_pol()
4361 v3sigmalapl2[5] = 0.0e0; in func_pol()
4364 v3sigmalapl2[6] = 0.0e0; in func_pol()
4367 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c846 v3sigmalapl2[0] = 0.0e0; in func_unpol()
2016 v3sigmalapl2[0] = 0.0e0; in func_ferr()
5225 v3sigmalapl2[0] = 0.0e0; in func_pol()
5228 v3sigmalapl2[1] = 0.0e0; in func_pol()
5231 v3sigmalapl2[2] = 0.0e0; in func_pol()
5234 v3sigmalapl2[3] = 0.0e0; in func_pol()
5237 v3sigmalapl2[4] = 0.0e0; in func_pol()
5240 v3sigmalapl2[5] = 0.0e0; in func_pol()
5243 v3sigmalapl2[6] = 0.0e0; in func_pol()
5246 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c910 v3sigmalapl2[0] = 0.0e0; in func_unpol()
2249 v3sigmalapl2[0] = 0.0e0; in func_ferr()
5259 v3sigmalapl2[0] = 0.0e0; in func_pol()
5262 v3sigmalapl2[1] = 0.0e0; in func_pol()
5265 v3sigmalapl2[2] = 0.0e0; in func_pol()
5268 v3sigmalapl2[3] = 0.0e0; in func_pol()
5271 v3sigmalapl2[4] = 0.0e0; in func_pol()
5274 v3sigmalapl2[5] = 0.0e0; in func_pol()
5277 v3sigmalapl2[6] = 0.0e0; in func_pol()
5280 v3sigmalapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_mvsb.c775 v3sigmalapl2[0] = 0.0e0; in func_unpol()
1871 v3sigmalapl2[0] = 0.0e0; in func_ferr()
5119 v3sigmalapl2[0] = 0.0e0; in func_pol()
5122 v3sigmalapl2[1] = 0.0e0; in func_pol()
5125 v3sigmalapl2[2] = 0.0e0; in func_pol()
5128 v3sigmalapl2[3] = 0.0e0; in func_pol()
5131 v3sigmalapl2[4] = 0.0e0; in func_pol()
5134 v3sigmalapl2[5] = 0.0e0; in func_pol()
5137 v3sigmalapl2[6] = 0.0e0; in func_pol()
5140 v3sigmalapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_ms.c877 v3sigmalapl2[0] = 0.0e0; in func_unpol()
2213 v3sigmalapl2[0] = 0.0e0; in func_ferr()
5122 v3sigmalapl2[0] = 0.0e0; in func_pol()
5125 v3sigmalapl2[1] = 0.0e0; in func_pol()
5128 v3sigmalapl2[2] = 0.0e0; in func_pol()
5131 v3sigmalapl2[3] = 0.0e0; in func_pol()
5134 v3sigmalapl2[4] = 0.0e0; in func_pol()
5137 v3sigmalapl2[5] = 0.0e0; in func_pol()
5140 v3sigmalapl2[6] = 0.0e0; in func_pol()
5143 v3sigmalapl2[7] = 0.0e0; in func_pol()
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