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Searched refs:v4rho2lapltau (Results 1 – 25 of 73) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c279 dim->v4rho2sigmalapl = dim->v4rho2sigmatau = dim->v4rho2lapl2 = dim->v4rho2lapltau = 1; in internal_counters_set_mgga()
321 dim->v4rho2lapltau = 3*2*2; in internal_counters_set_mgga()
575 *v4rho2lapltau += pos*dim->v4rho2lapltau + offset; in internal_counters_mgga_random()
669 *v4rho2lapltau += dim->v4rho2lapltau + offset; in internal_counters_mgga_next()
763 *v4rho2lapltau -= dim->v4rho2lapltau + offset; in internal_counters_mgga_prev()
H A Dmgga.c162 assert(v4rho2lapltau != NULL); in xc_mgga()
201 libxc_memset(v4rho2lapltau, 0, dim->v4rho2lapltau *np*sizeof(double)); in xc_mgga()
412 … double *v4rho2sigmalapl, double *v4rho2sigmatau, double *v4rho2lapl2, double *v4rho2lapltau, in xc_mgga_lxc() argument
426 v4rho2sigmalapl, v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, in xc_mgga_lxc()
H A Dlibxc_master.F90617 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
638 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
765 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
778 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1319 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
1339 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1354 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
1517 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
1529 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1538 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
H A Dxc.h104 P_ v4rho2sigmalapl, P_ v4rho2sigmatau, P_ v4rho2lapl2, P_ v4rho2lapltau, \
360 double *v4rho2sigmalapl, double *v4rho2sigmatau, double *v4rho2lapl2, double *v4rho2lapltau,
H A Dmix_func.c249 v4rho2lapltau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rho2lapltau); in xc_mix_func()
405 sum_var(v4rho2lapltau); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901212 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
1233 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1360 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
1373 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1966 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
1986 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
2001 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
2164 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
2176 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
2185 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c234 v4rho2lapltau[0] = 0.0e0; in func_unpol()
549 v4rho2lapltau[0] = 0.0e0; in func_ferr()
2130 v4rho2lapltau[0] = 0.0e0; in func_pol()
2133 v4rho2lapltau[1] = 0.0e0; in func_pol()
2136 v4rho2lapltau[2] = 0.0e0; in func_pol()
2139 v4rho2lapltau[3] = 0.0e0; in func_pol()
2142 v4rho2lapltau[4] = 0.0e0; in func_pol()
2145 v4rho2lapltau[5] = 0.0e0; in func_pol()
2148 v4rho2lapltau[6] = 0.0e0; in func_pol()
2151 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c265 v4rho2lapltau[0] = 0.0e0; in func_unpol()
611 v4rho2lapltau[0] = 0.0e0; in func_ferr()
2234 v4rho2lapltau[0] = 0.0e0; in func_pol()
2237 v4rho2lapltau[1] = 0.0e0; in func_pol()
2240 v4rho2lapltau[2] = 0.0e0; in func_pol()
2243 v4rho2lapltau[3] = 0.0e0; in func_pol()
2246 v4rho2lapltau[4] = 0.0e0; in func_pol()
2249 v4rho2lapltau[5] = 0.0e0; in func_pol()
2252 v4rho2lapltau[6] = 0.0e0; in func_pol()
2255 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c251 v4rho2lapltau[0] = 0.0e0; in func_unpol()
580 v4rho2lapltau[0] = 0.0e0; in func_ferr()
2549 v4rho2lapltau[0] = 0.0e0; in func_pol()
2552 v4rho2lapltau[1] = 0.0e0; in func_pol()
2555 v4rho2lapltau[2] = 0.0e0; in func_pol()
2558 v4rho2lapltau[3] = 0.0e0; in func_pol()
2561 v4rho2lapltau[4] = 0.0e0; in func_pol()
2564 v4rho2lapltau[5] = 0.0e0; in func_pol()
2567 v4rho2lapltau[6] = 0.0e0; in func_pol()
2570 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c256 v4rho2lapltau[0] = 0.0e0; in func_unpol()
585 v4rho2lapltau[0] = 0.0e0; in func_ferr()
2539 v4rho2lapltau[0] = 0.0e0; in func_pol()
2542 v4rho2lapltau[1] = 0.0e0; in func_pol()
2545 v4rho2lapltau[2] = 0.0e0; in func_pol()
2548 v4rho2lapltau[3] = 0.0e0; in func_pol()
2551 v4rho2lapltau[4] = 0.0e0; in func_pol()
2554 v4rho2lapltau[5] = 0.0e0; in func_pol()
2557 v4rho2lapltau[6] = 0.0e0; in func_pol()
2560 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c341 …v4rho2lapltau[0] = -t193 * t147 / 0.12e2 - t109 * t256 / 0.2e1 - 0.3e1 / 0.16e2 * t40 * t41 * t440; in func_unpol()
769 v4rho2lapltau[0] = -t184 * t138 / 0.6e1 - t98 * t245 - 0.3e1 / 0.8e1 * t34 * t35 * t423; in func_ferr()
2839 …v4rho2lapltau[0] = -t3037 - 0.4e1 / 0.3e1 * t3038 - t3040 - t145 * t256 * t468 * t180 / 0.6e1 - t1… in func_pol()
2842 v4rho2lapltau[1] = 0.0e0; in func_pol()
2845 v4rho2lapltau[2] = 0.0e0; in func_pol()
2850 …v4rho2lapltau[3] = -t3062 - 0.4e1 / 0.3e1 * t3063 - t145 * t279 * t473 * t236 / 0.6e1 - t145 * t38… in func_pol()
2857 v4rho2lapltau[5] = 0.0e0; in func_pol()
2860 v4rho2lapltau[6] = 0.0e0; in func_pol()
2868 …v4rho2lapltau[8] = -t3037 - 0.4e1 / 0.3e1 * t3075 - t145 * t256 * t468 * t305 / 0.6e1 - t145 * t36… in func_pol()
2871 v4rho2lapltau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c279 v4rho2lapltau[0] = 0.0e0; in func_unpol()
533 v4rho2lapltau[0] = 0.0e0; in func_ferr()
3167 v4rho2lapltau[0] = 0.0e0; in func_pol()
3170 v4rho2lapltau[1] = 0.0e0; in func_pol()
3173 v4rho2lapltau[2] = 0.0e0; in func_pol()
3176 v4rho2lapltau[3] = 0.0e0; in func_pol()
3179 v4rho2lapltau[4] = 0.0e0; in func_pol()
3182 v4rho2lapltau[5] = 0.0e0; in func_pol()
3185 v4rho2lapltau[6] = 0.0e0; in func_pol()
3188 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c340 v4rho2lapltau[0] = 0.0e0; in func_unpol()
753 v4rho2lapltau[0] = 0.0e0; in func_ferr()
2930 v4rho2lapltau[0] = 0.0e0; in func_pol()
2933 v4rho2lapltau[1] = 0.0e0; in func_pol()
2936 v4rho2lapltau[2] = 0.0e0; in func_pol()
2939 v4rho2lapltau[3] = 0.0e0; in func_pol()
2942 v4rho2lapltau[4] = 0.0e0; in func_pol()
2945 v4rho2lapltau[5] = 0.0e0; in func_pol()
2948 v4rho2lapltau[6] = 0.0e0; in func_pol()
2951 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c513 v4rho2lapltau[0] = 0.0e0; in func_unpol()
1107 v4rho2lapltau[0] = 0.0e0; in func_ferr()
3501 v4rho2lapltau[0] = 0.0e0; in func_pol()
3504 v4rho2lapltau[1] = 0.0e0; in func_pol()
3507 v4rho2lapltau[2] = 0.0e0; in func_pol()
3510 v4rho2lapltau[3] = 0.0e0; in func_pol()
3513 v4rho2lapltau[4] = 0.0e0; in func_pol()
3516 v4rho2lapltau[5] = 0.0e0; in func_pol()
3519 v4rho2lapltau[6] = 0.0e0; in func_pol()
3522 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c412 v4rho2lapltau[0] = 0.0e0; in func_unpol()
902 v4rho2lapltau[0] = 0.0e0; in func_ferr()
3440 v4rho2lapltau[0] = 0.0e0; in func_pol()
3443 v4rho2lapltau[1] = 0.0e0; in func_pol()
3446 v4rho2lapltau[2] = 0.0e0; in func_pol()
3449 v4rho2lapltau[3] = 0.0e0; in func_pol()
3452 v4rho2lapltau[4] = 0.0e0; in func_pol()
3455 v4rho2lapltau[5] = 0.0e0; in func_pol()
3458 v4rho2lapltau[6] = 0.0e0; in func_pol()
3461 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c443 v4rho2lapltau[0] = 0.0e0; in func_unpol()
935 v4rho2lapltau[0] = 0.0e0; in func_ferr()
3708 v4rho2lapltau[0] = 0.0e0; in func_pol()
3711 v4rho2lapltau[1] = 0.0e0; in func_pol()
3714 v4rho2lapltau[2] = 0.0e0; in func_pol()
3717 v4rho2lapltau[3] = 0.0e0; in func_pol()
3720 v4rho2lapltau[4] = 0.0e0; in func_pol()
3723 v4rho2lapltau[5] = 0.0e0; in func_pol()
3726 v4rho2lapltau[6] = 0.0e0; in func_pol()
3729 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c385 v4rho2lapltau[0] = 0.0e0; in func_unpol()
850 v4rho2lapltau[0] = 0.0e0; in func_ferr()
3604 v4rho2lapltau[0] = 0.0e0; in func_pol()
3607 v4rho2lapltau[1] = 0.0e0; in func_pol()
3610 v4rho2lapltau[2] = 0.0e0; in func_pol()
3613 v4rho2lapltau[3] = 0.0e0; in func_pol()
3616 v4rho2lapltau[4] = 0.0e0; in func_pol()
3619 v4rho2lapltau[5] = 0.0e0; in func_pol()
3622 v4rho2lapltau[6] = 0.0e0; in func_pol()
3625 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c548 v4rho2lapltau[0] = 0.0e0; in func_unpol()
1175 v4rho2lapltau[0] = 0.0e0; in func_ferr()
3707 v4rho2lapltau[0] = 0.0e0; in func_pol()
3710 v4rho2lapltau[1] = 0.0e0; in func_pol()
3713 v4rho2lapltau[2] = 0.0e0; in func_pol()
3716 v4rho2lapltau[3] = 0.0e0; in func_pol()
3719 v4rho2lapltau[4] = 0.0e0; in func_pol()
3722 v4rho2lapltau[5] = 0.0e0; in func_pol()
3725 v4rho2lapltau[6] = 0.0e0; in func_pol()
3728 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c1016 v4rho2lapltau[0] = 0.0e0; in func_unpol()
2115 v4rho2lapltau[0] = 0.0e0; in func_ferr()
5410 v4rho2lapltau[0] = 0.0e0; in func_pol()
5413 v4rho2lapltau[1] = 0.0e0; in func_pol()
5416 v4rho2lapltau[2] = 0.0e0; in func_pol()
5419 v4rho2lapltau[3] = 0.0e0; in func_pol()
5422 v4rho2lapltau[4] = 0.0e0; in func_pol()
5425 v4rho2lapltau[5] = 0.0e0; in func_pol()
5428 v4rho2lapltau[6] = 0.0e0; in func_pol()
5431 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c880 v4rho2lapltau[0] = 0.0e0; in func_unpol()
1915 v4rho2lapltau[0] = 0.0e0; in func_ferr()
5695 v4rho2lapltau[0] = 0.0e0; in func_pol()
5698 v4rho2lapltau[1] = 0.0e0; in func_pol()
5701 v4rho2lapltau[2] = 0.0e0; in func_pol()
5704 v4rho2lapltau[3] = 0.0e0; in func_pol()
5707 v4rho2lapltau[4] = 0.0e0; in func_pol()
5710 v4rho2lapltau[5] = 0.0e0; in func_pol()
5713 v4rho2lapltau[6] = 0.0e0; in func_pol()
5716 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c775 v4rho2lapltau[0] = 0.0e0; in func_unpol()
1652 v4rho2lapltau[0] = 0.0e0; in func_ferr()
5599 v4rho2lapltau[0] = 0.0e0; in func_pol()
5602 v4rho2lapltau[1] = 0.0e0; in func_pol()
5605 v4rho2lapltau[2] = 0.0e0; in func_pol()
5608 v4rho2lapltau[3] = 0.0e0; in func_pol()
5611 v4rho2lapltau[4] = 0.0e0; in func_pol()
5614 v4rho2lapltau[5] = 0.0e0; in func_pol()
5617 v4rho2lapltau[6] = 0.0e0; in func_pol()
5620 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c1082 v4rho2lapltau[0] = 0.0e0; in func_unpol()
2230 v4rho2lapltau[0] = 0.0e0; in func_ferr()
6520 v4rho2lapltau[0] = 0.0e0; in func_pol()
6523 v4rho2lapltau[1] = 0.0e0; in func_pol()
6526 v4rho2lapltau[2] = 0.0e0; in func_pol()
6529 v4rho2lapltau[3] = 0.0e0; in func_pol()
6532 v4rho2lapltau[4] = 0.0e0; in func_pol()
6535 v4rho2lapltau[5] = 0.0e0; in func_pol()
6538 v4rho2lapltau[6] = 0.0e0; in func_pol()
6541 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c1167 v4rho2lapltau[0] = 0.0e0; in func_unpol()
2502 v4rho2lapltau[0] = 0.0e0; in func_ferr()
6332 v4rho2lapltau[0] = 0.0e0; in func_pol()
6335 v4rho2lapltau[1] = 0.0e0; in func_pol()
6338 v4rho2lapltau[2] = 0.0e0; in func_pol()
6341 v4rho2lapltau[3] = 0.0e0; in func_pol()
6344 v4rho2lapltau[4] = 0.0e0; in func_pol()
6347 v4rho2lapltau[5] = 0.0e0; in func_pol()
6350 v4rho2lapltau[6] = 0.0e0; in func_pol()
6353 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c970 v4rho2lapltau[0] = 0.0e0; in func_unpol()
2063 v4rho2lapltau[0] = 0.0e0; in func_ferr()
6455 v4rho2lapltau[0] = 0.0e0; in func_pol()
6458 v4rho2lapltau[1] = 0.0e0; in func_pol()
6461 v4rho2lapltau[2] = 0.0e0; in func_pol()
6464 v4rho2lapltau[3] = 0.0e0; in func_pol()
6467 v4rho2lapltau[4] = 0.0e0; in func_pol()
6470 v4rho2lapltau[5] = 0.0e0; in func_pol()
6473 v4rho2lapltau[6] = 0.0e0; in func_pol()
6476 v4rho2lapltau[7] = 0.0e0; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c2127 v4rho2lapltau[0] = -(t950 + t983) * t30 - t539 * t88 / 0.2e1; in func_pol()
2130 v4rho2lapltau[1] = 0.0e0; in func_pol()
2133 v4rho2lapltau[2] = 0.0e0; in func_pol()
2136 v4rho2lapltau[3] = 0.0e0; in func_pol()
2139 v4rho2lapltau[4] = 0.0e0; in func_pol()
2142 v4rho2lapltau[5] = 0.0e0; in func_pol()
2145 v4rho2lapltau[6] = 0.0e0; in func_pol()
2148 v4rho2lapltau[7] = 0.0e0; in func_pol()
2151 v4rho2lapltau[8] = 0.0e0; in func_pol()
2154 v4rho2lapltau[9] = 0.0e0; in func_pol()
[all …]

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