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Searched refs:v3sigma2tau (Results 1 – 25 of 71) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c101 assert(v3sigma2tau != NULL); in xc_mgga()
124 libxc_memset(v3sigma2tau, 0, dim->v3sigma2tau *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()
392 double *v3sigma3, double *v3sigma2lapl, double *v3sigma2tau, 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()
306 dim->v3sigma2tau = 6*2; in internal_counters_set_mgga()
565 *v3sigma2tau += pos*dim->v3sigma2tau + offset; in internal_counters_mgga_random()
659 *v3sigma2tau += dim->v3sigma2tau + offset; in internal_counters_mgga_next()
753 *v3sigma2tau -= dim->v3sigma2tau + 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.h100 P_ v3rhotau2, P_ v3sigma3, P_ v3sigma2lapl, P_ v3sigma2tau, \
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.c225 v3sigma2tau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3sigma2tau); in xc_mix_func()
384 sum_var(v3sigma2tau); 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
1981 v3rholapltau(*), v3rhotau2(*), v3sigma3(*), v3sigma2lapl(*), v3sigma2tau(*), & local
1998 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
2050 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
2060 v3rholapltau(*), v3rhotau2(*), v3sigma3(*), v3sigma2lapl(*), v3sigma2tau(*), & local
2069 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c181 v3sigma2tau[0] = 0.0e0; in func_unpol()
496 v3sigma2tau[0] = 0.0e0; in func_ferr()
1492 v3sigma2tau[0] = 0.0e0; in func_pol()
1495 v3sigma2tau[1] = 0.0e0; in func_pol()
1498 v3sigma2tau[2] = 0.0e0; in func_pol()
1501 v3sigma2tau[3] = 0.0e0; in func_pol()
1504 v3sigma2tau[4] = 0.0e0; in func_pol()
1507 v3sigma2tau[5] = 0.0e0; in func_pol()
1510 v3sigma2tau[6] = 0.0e0; in func_pol()
1513 v3sigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c210 v3sigma2tau[0] = 0.0e0; in func_unpol()
556 v3sigma2tau[0] = 0.0e0; in func_ferr()
1588 v3sigma2tau[0] = 0.0e0; in func_pol()
1591 v3sigma2tau[1] = 0.0e0; in func_pol()
1594 v3sigma2tau[2] = 0.0e0; in func_pol()
1597 v3sigma2tau[3] = 0.0e0; in func_pol()
1600 v3sigma2tau[4] = 0.0e0; in func_pol()
1603 v3sigma2tau[5] = 0.0e0; in func_pol()
1606 v3sigma2tau[6] = 0.0e0; in func_pol()
1609 v3sigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c196 v3sigma2tau[0] = 0.0e0; in func_unpol()
525 v3sigma2tau[0] = 0.0e0; in func_ferr()
1833 v3sigma2tau[0] = 0.0e0; in func_pol()
1836 v3sigma2tau[1] = 0.0e0; in func_pol()
1839 v3sigma2tau[2] = 0.0e0; in func_pol()
1842 v3sigma2tau[3] = 0.0e0; in func_pol()
1845 v3sigma2tau[4] = 0.0e0; in func_pol()
1848 v3sigma2tau[5] = 0.0e0; in func_pol()
1851 v3sigma2tau[6] = 0.0e0; in func_pol()
1854 v3sigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c194 v3sigma2tau[0] = 0.0e0; in func_unpol()
524 v3sigma2tau[0] = 0.0e0; in func_ferr()
1823 v3sigma2tau[0] = 0.0e0; in func_pol()
1826 v3sigma2tau[1] = 0.0e0; in func_pol()
1829 v3sigma2tau[2] = 0.0e0; in func_pol()
1832 v3sigma2tau[3] = 0.0e0; in func_pol()
1835 v3sigma2tau[4] = 0.0e0; in func_pol()
1838 v3sigma2tau[5] = 0.0e0; in func_pol()
1841 v3sigma2tau[6] = 0.0e0; in func_pol()
1844 v3sigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c255 v3sigma2tau[0] = 0.0e0; in func_unpol()
683 v3sigma2tau[0] = 0.0e0; in func_ferr()
2080 v3sigma2tau[0] = 0.0e0; in func_pol()
2083 v3sigma2tau[1] = 0.0e0; in func_pol()
2086 v3sigma2tau[2] = 0.0e0; in func_pol()
2089 v3sigma2tau[3] = 0.0e0; in func_pol()
2092 v3sigma2tau[4] = 0.0e0; in func_pol()
2095 v3sigma2tau[5] = 0.0e0; in func_pol()
2098 v3sigma2tau[6] = 0.0e0; in func_pol()
2101 v3sigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c219 v3sigma2tau[0] = 0.0e0; in func_unpol()
480 v3sigma2tau[0] = 0.0e0; in func_ferr()
1958 v3sigma2tau[0] = 0.0e0; in func_pol()
1961 v3sigma2tau[1] = 0.0e0; in func_pol()
1964 v3sigma2tau[2] = 0.0e0; in func_pol()
1967 v3sigma2tau[3] = 0.0e0; in func_pol()
1970 v3sigma2tau[4] = 0.0e0; in func_pol()
1973 v3sigma2tau[5] = 0.0e0; in func_pol()
1976 v3sigma2tau[6] = 0.0e0; in func_pol()
1979 v3sigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c266 … v3sigma2tau[0] = 0.88730405299602294797e-3 * t83 * t360 - 0.37284446458451212479e-5 * t365 * t60; in func_unpol()
2138 v3sigma2tau[1] = 0.0e0; in func_pol()
2141 v3sigma2tau[2] = 0.0e0; in func_pol()
2144 v3sigma2tau[3] = 0.0e0; in func_pol()
2147 v3sigma2tau[4] = 0.0e0; in func_pol()
2150 v3sigma2tau[5] = 0.0e0; in func_pol()
2153 v3sigma2tau[6] = 0.0e0; in func_pol()
2156 v3sigma2tau[7] = 0.0e0; in func_pol()
2159 v3sigma2tau[8] = 0.0e0; in func_pol()
2162 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c998 v3sigma2tau[0] = t50 * t561; in func_ferr()
2692 v3sigma2tau[1] = 0.0e0; in func_pol()
2695 v3sigma2tau[2] = 0.0e0; in func_pol()
2698 v3sigma2tau[3] = 0.0e0; in func_pol()
2701 v3sigma2tau[4] = 0.0e0; in func_pol()
2704 v3sigma2tau[5] = 0.0e0; in func_pol()
2707 v3sigma2tau[6] = 0.0e0; in func_pol()
2710 v3sigma2tau[7] = 0.0e0; in func_pol()
2713 v3sigma2tau[8] = 0.0e0; in func_pol()
2716 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c339 …v3sigma2tau[0] = -0.72721800000000000000e0 * t181 * t441 - 0.38838162962962962962e-2 * t444 + 0.49… in func_unpol()
2577 v3sigma2tau[1] = 0.0e0; in func_pol()
2580 v3sigma2tau[2] = 0.0e0; in func_pol()
2583 v3sigma2tau[3] = 0.0e0; in func_pol()
2586 v3sigma2tau[4] = 0.0e0; in func_pol()
2589 v3sigma2tau[5] = 0.0e0; in func_pol()
2592 v3sigma2tau[6] = 0.0e0; in func_pol()
2595 v3sigma2tau[7] = 0.0e0; in func_pol()
2598 v3sigma2tau[8] = 0.0e0; in func_pol()
2601 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c357 v3sigma2tau[0] = 0.29512800675284147267e-2 * t263 * t527; in func_unpol()
2778 v3sigma2tau[1] = 0.0e0; in func_pol()
2781 v3sigma2tau[2] = 0.0e0; in func_pol()
2784 v3sigma2tau[3] = 0.0e0; in func_pol()
2787 v3sigma2tau[4] = 0.0e0; in func_pol()
2790 v3sigma2tau[5] = 0.0e0; in func_pol()
2793 v3sigma2tau[6] = 0.0e0; in func_pol()
2796 v3sigma2tau[7] = 0.0e0; in func_pol()
2799 v3sigma2tau[8] = 0.0e0; in func_pol()
2802 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c311 v3sigma2tau[0] = 0.0e0; in func_unpol()
776 v3sigma2tau[0] = 0.0e0; in func_ferr()
2542 v3sigma2tau[0] = 0.0e0; in func_pol()
2545 v3sigma2tau[1] = 0.0e0; in func_pol()
2548 v3sigma2tau[2] = 0.0e0; in func_pol()
2551 v3sigma2tau[3] = 0.0e0; in func_pol()
2554 v3sigma2tau[4] = 0.0e0; in func_pol()
2557 v3sigma2tau[5] = 0.0e0; in func_pol()
2560 v3sigma2tau[6] = 0.0e0; in func_pol()
2563 v3sigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c447 v3sigma2tau[0] = -0.3e1 / 0.16e2 * t103 * t975; in func_unpol()
2894 v3sigma2tau[1] = 0.0e0; in func_pol()
2897 v3sigma2tau[2] = 0.0e0; in func_pol()
2900 v3sigma2tau[3] = 0.0e0; in func_pol()
2903 v3sigma2tau[4] = 0.0e0; in func_pol()
2906 v3sigma2tau[5] = 0.0e0; in func_pol()
2909 v3sigma2tau[6] = 0.0e0; in func_pol()
2912 v3sigma2tau[7] = 0.0e0; in func_pol()
2915 v3sigma2tau[8] = 0.0e0; in func_pol()
2918 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c780 v3sigma2tau[0] = -0.3e1 / 0.16e2 * t73 * t1293; in func_unpol()
4379 v3sigma2tau[1] = 0.0e0; in func_pol()
4382 v3sigma2tau[2] = 0.0e0; in func_pol()
4385 v3sigma2tau[3] = 0.0e0; in func_pol()
4388 v3sigma2tau[4] = 0.0e0; in func_pol()
4391 v3sigma2tau[5] = 0.0e0; in func_pol()
4394 v3sigma2tau[6] = 0.0e0; in func_pol()
4397 v3sigma2tau[7] = 0.0e0; in func_pol()
4400 v3sigma2tau[8] = 0.0e0; in func_pol()
4403 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c694 v3sigma2tau[0] = 0.81116493618444076992e-4 * t675 * t1606; in func_unpol()
4510 v3sigma2tau[1] = 0.0e0; in func_pol()
4513 v3sigma2tau[2] = 0.0e0; in func_pol()
4516 v3sigma2tau[3] = 0.0e0; in func_pol()
4519 v3sigma2tau[4] = 0.0e0; in func_pol()
4522 v3sigma2tau[5] = 0.0e0; in func_pol()
4525 v3sigma2tau[6] = 0.0e0; in func_pol()
4528 v3sigma2tau[7] = 0.0e0; in func_pol()
4531 v3sigma2tau[8] = 0.0e0; in func_pol()
4534 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c4298 …v3sigma2tau[0] = -0.3e1 / 0.8e1 * t321 * t3186 + t2867 * t291 / 0.3072e4 - t891 * t970 / 0.262144e… in func_pol()
4301 v3sigma2tau[1] = 0.0e0; in func_pol()
4304 v3sigma2tau[2] = 0.0e0; in func_pol()
4307 v3sigma2tau[3] = 0.0e0; in func_pol()
4310 v3sigma2tau[4] = 0.0e0; in func_pol()
4313 v3sigma2tau[5] = 0.0e0; in func_pol()
4316 v3sigma2tau[6] = 0.0e0; in func_pol()
4319 v3sigma2tau[7] = 0.0e0; in func_pol()
4322 v3sigma2tau[8] = 0.0e0; in func_pol()
4325 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c843 …v3sigma2tau[0] = -0.3e1 / 0.16e2 * t70 * t1457 + 0.76166175000000000000e-3 * t179 * t1461 - 0.1547… in func_unpol()
5168 v3sigma2tau[1] = 0.0e0; in func_pol()
5171 v3sigma2tau[2] = 0.0e0; in func_pol()
5174 v3sigma2tau[3] = 0.0e0; in func_pol()
5177 v3sigma2tau[4] = 0.0e0; in func_pol()
5180 v3sigma2tau[5] = 0.0e0; in func_pol()
5183 v3sigma2tau[6] = 0.0e0; in func_pol()
5186 v3sigma2tau[7] = 0.0e0; in func_pol()
5189 v3sigma2tau[8] = 0.0e0; in func_pol()
5192 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c907 v3sigma2tau[0] = -0.3e1 / 0.16e2 * t155 * t2234; in func_unpol()
5212 v3sigma2tau[1] = 0.0e0; in func_pol()
5215 v3sigma2tau[2] = 0.0e0; in func_pol()
5218 v3sigma2tau[3] = 0.0e0; in func_pol()
5221 v3sigma2tau[4] = 0.0e0; in func_pol()
5224 v3sigma2tau[5] = 0.0e0; in func_pol()
5227 v3sigma2tau[6] = 0.0e0; in func_pol()
5230 v3sigma2tau[7] = 0.0e0; in func_pol()
5233 v3sigma2tau[8] = 0.0e0; in func_pol()
5236 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c5066 …v3sigma2tau[0] = -0.3e1 / 0.8e1 * t356 * t4096 + t3606 * t325 / 0.3072e4 - t1083 * t1210 / 0.26214… in func_pol()
5069 v3sigma2tau[1] = 0.0e0; in func_pol()
5072 v3sigma2tau[2] = 0.0e0; in func_pol()
5075 v3sigma2tau[3] = 0.0e0; in func_pol()
5078 v3sigma2tau[4] = 0.0e0; in func_pol()
5081 v3sigma2tau[5] = 0.0e0; in func_pol()
5084 v3sigma2tau[6] = 0.0e0; in func_pol()
5087 v3sigma2tau[7] = 0.0e0; in func_pol()
5090 v3sigma2tau[8] = 0.0e0; in func_pol()
5093 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_ms.c874 v3sigma2tau[0] = -0.3e1 / 0.16e2 * t77 * t1410; in func_unpol()
5052 v3sigma2tau[1] = 0.0e0; in func_pol()
5055 v3sigma2tau[2] = 0.0e0; in func_pol()
5058 v3sigma2tau[3] = 0.0e0; in func_pol()
5061 v3sigma2tau[4] = 0.0e0; in func_pol()
5064 v3sigma2tau[5] = 0.0e0; in func_pol()
5067 v3sigma2tau[6] = 0.0e0; in func_pol()
5070 v3sigma2tau[7] = 0.0e0; in func_pol()
5073 v3sigma2tau[8] = 0.0e0; in func_pol()
5076 v3sigma2tau[9] = 0.0e0; in func_pol()
[all …]

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