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Searched refs:v3sigmalapltau (Results 1 – 25 of 71) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c112 assert(v3sigmalapltau != NULL); in xc_mgga()
135 libxc_memset(v3sigmalapltau, 0, dim->v3sigmalapltau*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.c276 dim->v3rhosigmalapl = dim->v3rhosigmatau = dim->v3sigmalapltau = 1; in internal_counters_set_mgga()
308 dim->v3sigmalapltau = 3*2*2; in internal_counters_set_mgga()
557 *v3sigmalapltau += pos*dim->v3sigmalapltau + offset; in internal_counters_mgga_random()
651 *v3sigmalapltau += dim->v3sigmalapltau + offset; in internal_counters_mgga_next()
745 *v3sigmalapltau -= dim->v3sigmalapltau + 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.c227 v3sigmalapltau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3sigmalapltau); in xc_mix_func()
376 sum_var(v3sigmalapltau); 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.c187 v3sigmalapltau[0] = 0.0e0; in func_unpol()
502 v3sigmalapltau[0] = 0.0e0; in func_ferr()
1555 v3sigmalapltau[0] = 0.0e0; in func_pol()
1558 v3sigmalapltau[1] = 0.0e0; in func_pol()
1561 v3sigmalapltau[2] = 0.0e0; in func_pol()
1564 v3sigmalapltau[3] = 0.0e0; in func_pol()
1567 v3sigmalapltau[4] = 0.0e0; in func_pol()
1570 v3sigmalapltau[5] = 0.0e0; in func_pol()
1573 v3sigmalapltau[6] = 0.0e0; in func_pol()
1576 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c216 v3sigmalapltau[0] = 0.0e0; in func_unpol()
562 v3sigmalapltau[0] = 0.0e0; in func_ferr()
1651 v3sigmalapltau[0] = 0.0e0; in func_pol()
1654 v3sigmalapltau[1] = 0.0e0; in func_pol()
1657 v3sigmalapltau[2] = 0.0e0; in func_pol()
1660 v3sigmalapltau[3] = 0.0e0; in func_pol()
1663 v3sigmalapltau[4] = 0.0e0; in func_pol()
1666 v3sigmalapltau[5] = 0.0e0; in func_pol()
1669 v3sigmalapltau[6] = 0.0e0; in func_pol()
1672 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c202 v3sigmalapltau[0] = 0.0e0; in func_unpol()
531 v3sigmalapltau[0] = 0.0e0; in func_ferr()
1896 v3sigmalapltau[0] = 0.0e0; in func_pol()
1899 v3sigmalapltau[1] = 0.0e0; in func_pol()
1902 v3sigmalapltau[2] = 0.0e0; in func_pol()
1905 v3sigmalapltau[3] = 0.0e0; in func_pol()
1908 v3sigmalapltau[4] = 0.0e0; in func_pol()
1911 v3sigmalapltau[5] = 0.0e0; in func_pol()
1914 v3sigmalapltau[6] = 0.0e0; in func_pol()
1917 v3sigmalapltau[7] = 0.0e0; in func_pol()
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H A Dmgga_x_lta.c200 v3sigmalapltau[0] = 0.0e0; in func_unpol()
530 v3sigmalapltau[0] = 0.0e0; in func_ferr()
1886 v3sigmalapltau[0] = 0.0e0; in func_pol()
1889 v3sigmalapltau[1] = 0.0e0; in func_pol()
1892 v3sigmalapltau[2] = 0.0e0; in func_pol()
1895 v3sigmalapltau[3] = 0.0e0; in func_pol()
1898 v3sigmalapltau[4] = 0.0e0; in func_pol()
1901 v3sigmalapltau[5] = 0.0e0; in func_pol()
1904 v3sigmalapltau[6] = 0.0e0; in func_pol()
1907 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c261 v3sigmalapltau[0] = 0.0e0; in func_unpol()
689 v3sigmalapltau[0] = 0.0e0; in func_ferr()
2143 v3sigmalapltau[0] = 0.0e0; in func_pol()
2146 v3sigmalapltau[1] = 0.0e0; in func_pol()
2149 v3sigmalapltau[2] = 0.0e0; in func_pol()
2152 v3sigmalapltau[3] = 0.0e0; in func_pol()
2155 v3sigmalapltau[4] = 0.0e0; in func_pol()
2158 v3sigmalapltau[5] = 0.0e0; in func_pol()
2161 v3sigmalapltau[6] = 0.0e0; in func_pol()
2164 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c225 v3sigmalapltau[0] = 0.0e0; in func_unpol()
486 v3sigmalapltau[0] = 0.0e0; in func_ferr()
2021 v3sigmalapltau[0] = 0.0e0; in func_pol()
2024 v3sigmalapltau[1] = 0.0e0; in func_pol()
2027 v3sigmalapltau[2] = 0.0e0; in func_pol()
2030 v3sigmalapltau[3] = 0.0e0; in func_pol()
2033 v3sigmalapltau[4] = 0.0e0; in func_pol()
2036 v3sigmalapltau[5] = 0.0e0; in func_pol()
2039 v3sigmalapltau[6] = 0.0e0; in func_pol()
2042 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c272 v3sigmalapltau[0] = 0.0e0; in func_unpol()
683 v3sigmalapltau[0] = 0.0e0; in func_ferr()
2200 v3sigmalapltau[0] = 0.0e0; in func_pol()
2203 v3sigmalapltau[1] = 0.0e0; in func_pol()
2206 v3sigmalapltau[2] = 0.0e0; in func_pol()
2209 v3sigmalapltau[3] = 0.0e0; in func_pol()
2212 v3sigmalapltau[4] = 0.0e0; in func_pol()
2215 v3sigmalapltau[5] = 0.0e0; in func_pol()
2218 v3sigmalapltau[6] = 0.0e0; in func_pol()
2221 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c405 v3sigmalapltau[0] = 0.0e0; in func_unpol()
1004 v3sigmalapltau[0] = 0.0e0; in func_ferr()
2759 v3sigmalapltau[0] = 0.0e0; in func_pol()
2762 v3sigmalapltau[1] = 0.0e0; in func_pol()
2765 v3sigmalapltau[2] = 0.0e0; in func_pol()
2768 v3sigmalapltau[3] = 0.0e0; in func_pol()
2771 v3sigmalapltau[4] = 0.0e0; in func_pol()
2774 v3sigmalapltau[5] = 0.0e0; in func_pol()
2777 v3sigmalapltau[6] = 0.0e0; in func_pol()
2780 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c345 v3sigmalapltau[0] = 0.0e0; in func_unpol()
835 v3sigmalapltau[0] = 0.0e0; in func_ferr()
2644 v3sigmalapltau[0] = 0.0e0; in func_pol()
2647 v3sigmalapltau[1] = 0.0e0; in func_pol()
2650 v3sigmalapltau[2] = 0.0e0; in func_pol()
2653 v3sigmalapltau[3] = 0.0e0; in func_pol()
2656 v3sigmalapltau[4] = 0.0e0; in func_pol()
2659 v3sigmalapltau[5] = 0.0e0; in func_pol()
2662 v3sigmalapltau[6] = 0.0e0; in func_pol()
2665 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c363 v3sigmalapltau[0] = 0.0e0; in func_unpol()
863 v3sigmalapltau[0] = 0.0e0; in func_ferr()
2839 v3sigmalapltau[0] = 0.0e0; in func_pol()
2842 v3sigmalapltau[1] = 0.0e0; in func_pol()
2845 v3sigmalapltau[2] = 0.0e0; in func_pol()
2848 v3sigmalapltau[3] = 0.0e0; in func_pol()
2851 v3sigmalapltau[4] = 0.0e0; in func_pol()
2854 v3sigmalapltau[5] = 0.0e0; in func_pol()
2857 v3sigmalapltau[6] = 0.0e0; in func_pol()
2860 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c317 v3sigmalapltau[0] = 0.0e0; in func_unpol()
782 v3sigmalapltau[0] = 0.0e0; in func_ferr()
2605 v3sigmalapltau[0] = 0.0e0; in func_pol()
2608 v3sigmalapltau[1] = 0.0e0; in func_pol()
2611 v3sigmalapltau[2] = 0.0e0; in func_pol()
2614 v3sigmalapltau[3] = 0.0e0; in func_pol()
2617 v3sigmalapltau[4] = 0.0e0; in func_pol()
2620 v3sigmalapltau[5] = 0.0e0; in func_pol()
2623 v3sigmalapltau[6] = 0.0e0; in func_pol()
2626 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c453 v3sigmalapltau[0] = 0.0e0; in func_unpol()
1084 v3sigmalapltau[0] = 0.0e0; in func_ferr()
2955 v3sigmalapltau[0] = 0.0e0; in func_pol()
2958 v3sigmalapltau[1] = 0.0e0; in func_pol()
2961 v3sigmalapltau[2] = 0.0e0; in func_pol()
2964 v3sigmalapltau[3] = 0.0e0; in func_pol()
2967 v3sigmalapltau[4] = 0.0e0; in func_pol()
2970 v3sigmalapltau[5] = 0.0e0; in func_pol()
2973 v3sigmalapltau[6] = 0.0e0; in func_pol()
2976 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c786 v3sigmalapltau[0] = 0.0e0; in func_unpol()
1912 v3sigmalapltau[0] = 0.0e0; in func_ferr()
4462 v3sigmalapltau[0] = 0.0e0; in func_pol()
4465 v3sigmalapltau[1] = 0.0e0; in func_pol()
4468 v3sigmalapltau[2] = 0.0e0; in func_pol()
4471 v3sigmalapltau[3] = 0.0e0; in func_pol()
4474 v3sigmalapltau[4] = 0.0e0; in func_pol()
4477 v3sigmalapltau[5] = 0.0e0; in func_pol()
4480 v3sigmalapltau[6] = 0.0e0; in func_pol()
4483 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c700 v3sigmalapltau[0] = 0.0e0; in func_unpol()
1736 v3sigmalapltau[0] = 0.0e0; in func_ferr()
4571 v3sigmalapltau[0] = 0.0e0; in func_pol()
4574 v3sigmalapltau[1] = 0.0e0; in func_pol()
4577 v3sigmalapltau[2] = 0.0e0; in func_pol()
4580 v3sigmalapltau[3] = 0.0e0; in func_pol()
4583 v3sigmalapltau[4] = 0.0e0; in func_pol()
4586 v3sigmalapltau[5] = 0.0e0; in func_pol()
4589 v3sigmalapltau[6] = 0.0e0; in func_pol()
4592 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c627 v3sigmalapltau[0] = 0.0e0; in func_unpol()
1502 v3sigmalapltau[0] = 0.0e0; in func_ferr()
4373 v3sigmalapltau[0] = 0.0e0; in func_pol()
4376 v3sigmalapltau[1] = 0.0e0; in func_pol()
4379 v3sigmalapltau[2] = 0.0e0; in func_pol()
4382 v3sigmalapltau[3] = 0.0e0; in func_pol()
4385 v3sigmalapltau[4] = 0.0e0; in func_pol()
4388 v3sigmalapltau[5] = 0.0e0; in func_pol()
4391 v3sigmalapltau[6] = 0.0e0; in func_pol()
4394 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c849 v3sigmalapltau[0] = 0.0e0; in func_unpol()
2019 v3sigmalapltau[0] = 0.0e0; in func_ferr()
5252 v3sigmalapltau[0] = 0.0e0; in func_pol()
5255 v3sigmalapltau[1] = 0.0e0; in func_pol()
5258 v3sigmalapltau[2] = 0.0e0; in func_pol()
5261 v3sigmalapltau[3] = 0.0e0; in func_pol()
5264 v3sigmalapltau[4] = 0.0e0; in func_pol()
5267 v3sigmalapltau[5] = 0.0e0; in func_pol()
5270 v3sigmalapltau[6] = 0.0e0; in func_pol()
5273 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c913 v3sigmalapltau[0] = 0.0e0; in func_unpol()
2252 v3sigmalapltau[0] = 0.0e0; in func_ferr()
5286 v3sigmalapltau[0] = 0.0e0; in func_pol()
5289 v3sigmalapltau[1] = 0.0e0; in func_pol()
5292 v3sigmalapltau[2] = 0.0e0; in func_pol()
5295 v3sigmalapltau[3] = 0.0e0; in func_pol()
5298 v3sigmalapltau[4] = 0.0e0; in func_pol()
5301 v3sigmalapltau[5] = 0.0e0; in func_pol()
5304 v3sigmalapltau[6] = 0.0e0; in func_pol()
5307 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c778 v3sigmalapltau[0] = 0.0e0; in func_unpol()
1874 v3sigmalapltau[0] = 0.0e0; in func_ferr()
5146 v3sigmalapltau[0] = 0.0e0; in func_pol()
5149 v3sigmalapltau[1] = 0.0e0; in func_pol()
5152 v3sigmalapltau[2] = 0.0e0; in func_pol()
5155 v3sigmalapltau[3] = 0.0e0; in func_pol()
5158 v3sigmalapltau[4] = 0.0e0; in func_pol()
5161 v3sigmalapltau[5] = 0.0e0; in func_pol()
5164 v3sigmalapltau[6] = 0.0e0; in func_pol()
5167 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_ms.c880 v3sigmalapltau[0] = 0.0e0; in func_unpol()
2216 v3sigmalapltau[0] = 0.0e0; in func_ferr()
5149 v3sigmalapltau[0] = 0.0e0; in func_pol()
5152 v3sigmalapltau[1] = 0.0e0; in func_pol()
5155 v3sigmalapltau[2] = 0.0e0; in func_pol()
5158 v3sigmalapltau[3] = 0.0e0; in func_pol()
5161 v3sigmalapltau[4] = 0.0e0; in func_pol()
5164 v3sigmalapltau[5] = 0.0e0; in func_pol()
5167 v3sigmalapltau[6] = 0.0e0; in func_pol()
5170 v3sigmalapltau[7] = 0.0e0; in func_pol()
[all …]

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