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Searched refs:v3sigma2lapl (Results 1 – 25 of 71) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c110 assert(v3sigma2lapl != NULL); in xc_mgga()
133 libxc_memset(v3sigma2lapl, 0, dim->v3sigma2lapl *np*sizeof(double)); in xc_mgga()
308 … double *v3sigma2lapl, double *v3sigma2tau, double *v3sigmalapl2, double *v3sigmalapltau, in xc_mgga_exc_vxc_fxc_kxc() argument
315 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, in xc_mgga_exc_vxc_fxc_kxc()
334 … double *v3sigma2lapl, double *v3sigma2tau, double *v3sigmalapl2, double *v3sigmalapltau, in xc_mgga_vxc_fxc_kxc() argument
341 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, in xc_mgga_vxc_fxc_kxc()
392 double *v3sigma3, double *v3sigma2lapl, double *v3sigma2tau, in xc_mgga_kxc() argument
399 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, in xc_mgga_kxc()
H A Dutil.c275 dim->v3sigmalapl2 = dim->v3sigmatau2 = dim->v3sigma2lapl = dim->v3sigma2tau = 1; in internal_counters_set_mgga()
305 dim->v3sigma2lapl = 6*2; in internal_counters_set_mgga()
555 *v3sigma2lapl += pos*dim->v3sigma2lapl + offset; in internal_counters_mgga_random()
649 *v3sigma2lapl += dim->v3sigma2lapl + offset; in internal_counters_mgga_next()
743 *v3sigma2lapl -= dim->v3sigma2lapl + offset; in internal_counters_mgga_prev()
H A Dlibxc_master.F90613 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
678 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
719 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
749 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1315 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
1350 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1402 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
1421 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1455 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
1474 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
[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.c224 v3sigma2lapl_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3sigma2lapl); in xc_mix_func()
374 sum_var(v3sigma2lapl); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901208 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1273 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1314 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1344 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1962 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
1997 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
2049 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
2068 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
2102 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
2121 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c178 v3sigma2lapl[0] = 0.0e0; in func_unpol()
493 v3sigma2lapl[0] = 0.0e0; in func_ferr()
1456 v3sigma2lapl[0] = 0.0e0; in func_pol()
1459 v3sigma2lapl[1] = 0.0e0; in func_pol()
1462 v3sigma2lapl[2] = 0.0e0; in func_pol()
1465 v3sigma2lapl[3] = 0.0e0; in func_pol()
1468 v3sigma2lapl[4] = 0.0e0; in func_pol()
1471 v3sigma2lapl[5] = 0.0e0; in func_pol()
1474 v3sigma2lapl[6] = 0.0e0; in func_pol()
1477 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c207 v3sigma2lapl[0] = 0.0e0; in func_unpol()
553 v3sigma2lapl[0] = 0.0e0; in func_ferr()
1552 v3sigma2lapl[0] = 0.0e0; in func_pol()
1555 v3sigma2lapl[1] = 0.0e0; in func_pol()
1558 v3sigma2lapl[2] = 0.0e0; in func_pol()
1561 v3sigma2lapl[3] = 0.0e0; in func_pol()
1564 v3sigma2lapl[4] = 0.0e0; in func_pol()
1567 v3sigma2lapl[5] = 0.0e0; in func_pol()
1570 v3sigma2lapl[6] = 0.0e0; in func_pol()
1573 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c193 v3sigma2lapl[0] = 0.0e0; in func_unpol()
522 v3sigma2lapl[0] = 0.0e0; in func_ferr()
1797 v3sigma2lapl[0] = 0.0e0; in func_pol()
1800 v3sigma2lapl[1] = 0.0e0; in func_pol()
1803 v3sigma2lapl[2] = 0.0e0; in func_pol()
1806 v3sigma2lapl[3] = 0.0e0; in func_pol()
1809 v3sigma2lapl[4] = 0.0e0; in func_pol()
1812 v3sigma2lapl[5] = 0.0e0; in func_pol()
1815 v3sigma2lapl[6] = 0.0e0; in func_pol()
1818 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c191 v3sigma2lapl[0] = 0.0e0; in func_unpol()
521 v3sigma2lapl[0] = 0.0e0; in func_ferr()
1787 v3sigma2lapl[0] = 0.0e0; in func_pol()
1790 v3sigma2lapl[1] = 0.0e0; in func_pol()
1793 v3sigma2lapl[2] = 0.0e0; in func_pol()
1796 v3sigma2lapl[3] = 0.0e0; in func_pol()
1799 v3sigma2lapl[4] = 0.0e0; in func_pol()
1802 v3sigma2lapl[5] = 0.0e0; in func_pol()
1805 v3sigma2lapl[6] = 0.0e0; in func_pol()
1808 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c252 v3sigma2lapl[0] = 0.0e0; in func_unpol()
680 v3sigma2lapl[0] = 0.0e0; in func_ferr()
2044 v3sigma2lapl[0] = 0.0e0; in func_pol()
2047 v3sigma2lapl[1] = 0.0e0; in func_pol()
2050 v3sigma2lapl[2] = 0.0e0; in func_pol()
2053 v3sigma2lapl[3] = 0.0e0; in func_pol()
2056 v3sigma2lapl[4] = 0.0e0; in func_pol()
2059 v3sigma2lapl[5] = 0.0e0; in func_pol()
2062 v3sigma2lapl[6] = 0.0e0; in func_pol()
2065 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c216 v3sigma2lapl[0] = 0.0e0; in func_unpol()
477 v3sigma2lapl[0] = 0.0e0; in func_ferr()
1922 v3sigma2lapl[0] = 0.0e0; in func_pol()
1925 v3sigma2lapl[1] = 0.0e0; in func_pol()
1928 v3sigma2lapl[2] = 0.0e0; in func_pol()
1931 v3sigma2lapl[3] = 0.0e0; in func_pol()
1934 v3sigma2lapl[4] = 0.0e0; in func_pol()
1937 v3sigma2lapl[5] = 0.0e0; in func_pol()
1940 v3sigma2lapl[6] = 0.0e0; in func_pol()
1943 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c261 v3sigma2lapl[0] = 0.0e0; in func_unpol()
673 v3sigma2lapl[0] = 0.0e0; in func_ferr()
2097 v3sigma2lapl[0] = 0.0e0; in func_pol()
2100 v3sigma2lapl[1] = 0.0e0; in func_pol()
2103 v3sigma2lapl[2] = 0.0e0; in func_pol()
2106 v3sigma2lapl[3] = 0.0e0; in func_pol()
2109 v3sigma2lapl[4] = 0.0e0; in func_pol()
2112 v3sigma2lapl[5] = 0.0e0; in func_pol()
2115 v3sigma2lapl[6] = 0.0e0; in func_pol()
2118 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c389 v3sigma2lapl[0] = 0.0e0; in func_unpol()
988 v3sigma2lapl[0] = 0.0e0; in func_ferr()
2646 v3sigma2lapl[0] = 0.0e0; in func_pol()
2649 v3sigma2lapl[1] = 0.0e0; in func_pol()
2652 v3sigma2lapl[2] = 0.0e0; in func_pol()
2655 v3sigma2lapl[3] = 0.0e0; in func_pol()
2658 v3sigma2lapl[4] = 0.0e0; in func_pol()
2661 v3sigma2lapl[5] = 0.0e0; in func_pol()
2664 v3sigma2lapl[6] = 0.0e0; in func_pol()
2667 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c331 v3sigma2lapl[0] = 0.0e0; in func_unpol()
822 v3sigma2lapl[0] = 0.0e0; in func_ferr()
2531 v3sigma2lapl[0] = 0.0e0; in func_pol()
2534 v3sigma2lapl[1] = 0.0e0; in func_pol()
2537 v3sigma2lapl[2] = 0.0e0; in func_pol()
2540 v3sigma2lapl[3] = 0.0e0; in func_pol()
2543 v3sigma2lapl[4] = 0.0e0; in func_pol()
2546 v3sigma2lapl[5] = 0.0e0; in func_pol()
2549 v3sigma2lapl[6] = 0.0e0; in func_pol()
2552 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c353 v3sigma2lapl[0] = 0.0e0; in func_unpol()
853 v3sigma2lapl[0] = 0.0e0; in func_ferr()
2738 v3sigma2lapl[0] = 0.0e0; in func_pol()
2741 v3sigma2lapl[1] = 0.0e0; in func_pol()
2744 v3sigma2lapl[2] = 0.0e0; in func_pol()
2747 v3sigma2lapl[3] = 0.0e0; in func_pol()
2750 v3sigma2lapl[4] = 0.0e0; in func_pol()
2753 v3sigma2lapl[5] = 0.0e0; in func_pol()
2756 v3sigma2lapl[6] = 0.0e0; in func_pol()
2759 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c308 v3sigma2lapl[0] = 0.0e0; in func_unpol()
773 v3sigma2lapl[0] = 0.0e0; in func_ferr()
2506 v3sigma2lapl[0] = 0.0e0; in func_pol()
2509 v3sigma2lapl[1] = 0.0e0; in func_pol()
2512 v3sigma2lapl[2] = 0.0e0; in func_pol()
2515 v3sigma2lapl[3] = 0.0e0; in func_pol()
2518 v3sigma2lapl[4] = 0.0e0; in func_pol()
2521 v3sigma2lapl[5] = 0.0e0; in func_pol()
2524 v3sigma2lapl[6] = 0.0e0; in func_pol()
2527 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c443 v3sigma2lapl[0] = 0.0e0; in func_unpol()
1073 v3sigma2lapl[0] = 0.0e0; in func_ferr()
2854 v3sigma2lapl[0] = 0.0e0; in func_pol()
2857 v3sigma2lapl[1] = 0.0e0; in func_pol()
2860 v3sigma2lapl[2] = 0.0e0; in func_pol()
2863 v3sigma2lapl[3] = 0.0e0; in func_pol()
2866 v3sigma2lapl[4] = 0.0e0; in func_pol()
2869 v3sigma2lapl[5] = 0.0e0; in func_pol()
2872 v3sigma2lapl[6] = 0.0e0; in func_pol()
2875 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c750 v3sigma2lapl[0] = 0.0e0; in func_unpol()
1880 v3sigma2lapl[0] = 0.0e0; in func_ferr()
4317 v3sigma2lapl[0] = 0.0e0; in func_pol()
4320 v3sigma2lapl[1] = 0.0e0; in func_pol()
4323 v3sigma2lapl[2] = 0.0e0; in func_pol()
4326 v3sigma2lapl[3] = 0.0e0; in func_pol()
4329 v3sigma2lapl[4] = 0.0e0; in func_pol()
4332 v3sigma2lapl[5] = 0.0e0; in func_pol()
4335 v3sigma2lapl[6] = 0.0e0; in func_pol()
4338 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c690 v3sigma2lapl[0] = 0.0e0; in func_unpol()
1726 v3sigma2lapl[0] = 0.0e0; in func_ferr()
4470 v3sigma2lapl[0] = 0.0e0; in func_pol()
4473 v3sigma2lapl[1] = 0.0e0; in func_pol()
4476 v3sigma2lapl[2] = 0.0e0; in func_pol()
4479 v3sigma2lapl[3] = 0.0e0; in func_pol()
4482 v3sigma2lapl[4] = 0.0e0; in func_pol()
4485 v3sigma2lapl[5] = 0.0e0; in func_pol()
4488 v3sigma2lapl[6] = 0.0e0; in func_pol()
4491 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c606 v3sigma2lapl[0] = 0.0e0; in func_unpol()
1483 v3sigma2lapl[0] = 0.0e0; in func_ferr()
4250 v3sigma2lapl[0] = 0.0e0; in func_pol()
4253 v3sigma2lapl[1] = 0.0e0; in func_pol()
4256 v3sigma2lapl[2] = 0.0e0; in func_pol()
4259 v3sigma2lapl[3] = 0.0e0; in func_pol()
4262 v3sigma2lapl[4] = 0.0e0; in func_pol()
4265 v3sigma2lapl[5] = 0.0e0; in func_pol()
4268 v3sigma2lapl[6] = 0.0e0; in func_pol()
4271 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c813 v3sigma2lapl[0] = 0.0e0; in func_unpol()
1986 v3sigma2lapl[0] = 0.0e0; in func_ferr()
5105 v3sigma2lapl[0] = 0.0e0; in func_pol()
5108 v3sigma2lapl[1] = 0.0e0; in func_pol()
5111 v3sigma2lapl[2] = 0.0e0; in func_pol()
5114 v3sigma2lapl[3] = 0.0e0; in func_pol()
5117 v3sigma2lapl[4] = 0.0e0; in func_pol()
5120 v3sigma2lapl[5] = 0.0e0; in func_pol()
5123 v3sigma2lapl[6] = 0.0e0; in func_pol()
5126 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c891 v3sigma2lapl[0] = 0.0e0; in func_unpol()
2230 v3sigma2lapl[0] = 0.0e0; in func_ferr()
5159 v3sigma2lapl[0] = 0.0e0; in func_pol()
5162 v3sigma2lapl[1] = 0.0e0; in func_pol()
5165 v3sigma2lapl[2] = 0.0e0; in func_pol()
5168 v3sigma2lapl[3] = 0.0e0; in func_pol()
5171 v3sigma2lapl[4] = 0.0e0; in func_pol()
5174 v3sigma2lapl[5] = 0.0e0; in func_pol()
5177 v3sigma2lapl[6] = 0.0e0; in func_pol()
5180 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c754 v3sigma2lapl[0] = 0.0e0; in func_unpol()
1850 v3sigma2lapl[0] = 0.0e0; in func_ferr()
5013 v3sigma2lapl[0] = 0.0e0; in func_pol()
5016 v3sigma2lapl[1] = 0.0e0; in func_pol()
5019 v3sigma2lapl[2] = 0.0e0; in func_pol()
5022 v3sigma2lapl[3] = 0.0e0; in func_pol()
5025 v3sigma2lapl[4] = 0.0e0; in func_pol()
5028 v3sigma2lapl[5] = 0.0e0; in func_pol()
5031 v3sigma2lapl[6] = 0.0e0; in func_pol()
5034 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_ms.c838 v3sigma2lapl[0] = 0.0e0; in func_unpol()
2171 v3sigma2lapl[0] = 0.0e0; in func_ferr()
4976 v3sigma2lapl[0] = 0.0e0; in func_pol()
4979 v3sigma2lapl[1] = 0.0e0; in func_pol()
4982 v3sigma2lapl[2] = 0.0e0; in func_pol()
4985 v3sigma2lapl[3] = 0.0e0; in func_pol()
4988 v3sigma2lapl[4] = 0.0e0; in func_pol()
4991 v3sigma2lapl[5] = 0.0e0; in func_pol()
4994 v3sigma2lapl[6] = 0.0e0; in func_pol()
4997 v3sigma2lapl[7] = 0.0e0; in func_pol()
[all …]

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