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Searched refs:v4rholapl2tau (Results 1 – 25 of 73) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c282 dim->v4rholapl3 = dim->v4rholapl2tau = dim->v4rholapltau2 = dim->v4rhotau3 = 1; in internal_counters_set_mgga()
329 dim->v4rholapl2tau = 2*3*2; in internal_counters_set_mgga()
580 *v4rholapl2tau += pos*dim->v4rholapl2tau + offset; in internal_counters_mgga_random()
674 *v4rholapl2tau += dim->v4rholapl2tau + offset; in internal_counters_mgga_next()
768 *v4rholapl2tau -= dim->v4rholapl2tau + offset; in internal_counters_mgga_prev()
H A Dmgga.c167 assert(v4rholapl2tau != NULL); in xc_mgga()
206 libxc_memset(v4rholapl2tau, 0, dim->v4rholapl2tau *np*sizeof(double)); in xc_mgga()
415 … double *v4rholapl3, double *v4rholapl2tau, double *v4rholapltau2, double *v4rhotau3, in xc_mgga_lxc() argument
429 v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, in xc_mgga_lxc()
H A Dlibxc_master.F90619 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
640 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
767 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
780 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
1321 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, & argument
1341 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
1356 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
1519 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, & argument
1531 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
1540 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
H A Dxc.h107 P_ v4rholapl3, P_ v4rholapl2tau, P_ v4rholapltau2, P_ v4rhotau3, \
363 double *v4rholapl3, double *v4rholapl2tau, double *v4rholapltau2, double *v4rhotau3,
H A Dmix_func.c257 v4rholapl2tau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rholapl2tau); in xc_mix_func()
410 sum_var(v4rholapl2tau); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901214 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
1235 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
1362 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
1375 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
1968 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, & argument
1988 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
2003 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
2166 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, & argument
2178 … v4rhosigmatau2(*), v4rholapl3(*), v4rholapl2tau(*), v4rholapltau2(*), v4rhotau3(*), v4sigma4(*), & local
2187 v4rhosigmatau2, v4rholapl3, v4rholapl2tau, v4rholapltau2, v4rhotau3, v4sigma4, &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c261 v4rholapl2tau[0] = 0.0e0; in func_unpol()
576 v4rholapl2tau[0] = 0.0e0; in func_ferr()
2601 v4rholapl2tau[0] = 0.0e0; in func_pol()
2604 v4rholapl2tau[1] = 0.0e0; in func_pol()
2607 v4rholapl2tau[2] = 0.0e0; in func_pol()
2610 v4rholapl2tau[3] = 0.0e0; in func_pol()
2613 v4rholapl2tau[4] = 0.0e0; in func_pol()
2616 v4rholapl2tau[5] = 0.0e0; in func_pol()
2619 v4rholapl2tau[6] = 0.0e0; in func_pol()
2622 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c292 v4rholapl2tau[0] = 0.0e0; in func_unpol()
638 v4rholapl2tau[0] = 0.0e0; in func_ferr()
2705 v4rholapl2tau[0] = 0.0e0; in func_pol()
2708 v4rholapl2tau[1] = 0.0e0; in func_pol()
2711 v4rholapl2tau[2] = 0.0e0; in func_pol()
2714 v4rholapl2tau[3] = 0.0e0; in func_pol()
2717 v4rholapl2tau[4] = 0.0e0; in func_pol()
2720 v4rholapl2tau[5] = 0.0e0; in func_pol()
2723 v4rholapl2tau[6] = 0.0e0; in func_pol()
2726 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c278 v4rholapl2tau[0] = 0.0e0; in func_unpol()
607 v4rholapl2tau[0] = 0.0e0; in func_ferr()
3020 v4rholapl2tau[0] = 0.0e0; in func_pol()
3023 v4rholapl2tau[1] = 0.0e0; in func_pol()
3026 v4rholapl2tau[2] = 0.0e0; in func_pol()
3029 v4rholapl2tau[3] = 0.0e0; in func_pol()
3032 v4rholapl2tau[4] = 0.0e0; in func_pol()
3035 v4rholapl2tau[5] = 0.0e0; in func_pol()
3038 v4rholapl2tau[6] = 0.0e0; in func_pol()
3041 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c283 v4rholapl2tau[0] = 0.0e0; in func_unpol()
612 v4rholapl2tau[0] = 0.0e0; in func_ferr()
3034 v4rholapl2tau[0] = 0.0e0; in func_pol()
3037 v4rholapl2tau[1] = 0.0e0; in func_pol()
3040 v4rholapl2tau[2] = 0.0e0; in func_pol()
3043 v4rholapl2tau[3] = 0.0e0; in func_pol()
3046 v4rholapl2tau[4] = 0.0e0; in func_pol()
3049 v4rholapl2tau[5] = 0.0e0; in func_pol()
3052 v4rholapl2tau[6] = 0.0e0; in func_pol()
3055 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c802 v4rholapl2tau[0] = -t98 * t269 / 0.2e1 - 0.3e1 / 0.8e1 * t34 * t35 * t461; in func_ferr()
3341 v4rholapl2tau[1] = 0.0e0; in func_pol()
3344 v4rholapl2tau[2] = 0.0e0; in func_pol()
3347 v4rholapl2tau[3] = 0.0e0; in func_pol()
3350 v4rholapl2tau[4] = 0.0e0; in func_pol()
3354 v4rholapl2tau[5] = -t145 * t383 * t1287 * t101 / 0.2e1 - t3299 / 0.2e1; in func_pol()
3357 v4rholapl2tau[6] = -t145 * t360 * t1282 * t113 / 0.2e1 - t3286 / 0.2e1; in func_pol()
3360 v4rholapl2tau[7] = 0.0e0; in func_pol()
3363 v4rholapl2tau[8] = 0.0e0; in func_pol()
3366 v4rholapl2tau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c306 v4rholapl2tau[0] = 0.0e0; in func_unpol()
560 v4rholapl2tau[0] = 0.0e0; in func_ferr()
3638 v4rholapl2tau[0] = 0.0e0; in func_pol()
3641 v4rholapl2tau[1] = 0.0e0; in func_pol()
3644 v4rholapl2tau[2] = 0.0e0; in func_pol()
3647 v4rholapl2tau[3] = 0.0e0; in func_pol()
3650 v4rholapl2tau[4] = 0.0e0; in func_pol()
3653 v4rholapl2tau[5] = 0.0e0; in func_pol()
3656 v4rholapl2tau[6] = 0.0e0; in func_pol()
3659 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c369 v4rholapl2tau[0] = 0.0e0; in func_unpol()
783 v4rholapl2tau[0] = 0.0e0; in func_ferr()
3417 v4rholapl2tau[0] = 0.0e0; in func_pol()
3420 v4rholapl2tau[1] = 0.0e0; in func_pol()
3423 v4rholapl2tau[2] = 0.0e0; in func_pol()
3426 v4rholapl2tau[3] = 0.0e0; in func_pol()
3429 v4rholapl2tau[4] = 0.0e0; in func_pol()
3432 v4rholapl2tau[5] = 0.0e0; in func_pol()
3435 v4rholapl2tau[6] = 0.0e0; in func_pol()
3438 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c551 v4rholapl2tau[0] = 0.0e0; in func_unpol()
1145 v4rholapl2tau[0] = 0.0e0; in func_ferr()
4008 v4rholapl2tau[0] = 0.0e0; in func_pol()
4011 v4rholapl2tau[1] = 0.0e0; in func_pol()
4014 v4rholapl2tau[2] = 0.0e0; in func_pol()
4017 v4rholapl2tau[3] = 0.0e0; in func_pol()
4020 v4rholapl2tau[4] = 0.0e0; in func_pol()
4023 v4rholapl2tau[5] = 0.0e0; in func_pol()
4026 v4rholapl2tau[6] = 0.0e0; in func_pol()
4029 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c446 v4rholapl2tau[0] = 0.0e0; in func_unpol()
935 v4rholapl2tau[0] = 0.0e0; in func_ferr()
3967 v4rholapl2tau[0] = 0.0e0; in func_pol()
3970 v4rholapl2tau[1] = 0.0e0; in func_pol()
3973 v4rholapl2tau[2] = 0.0e0; in func_pol()
3976 v4rholapl2tau[3] = 0.0e0; in func_pol()
3979 v4rholapl2tau[4] = 0.0e0; in func_pol()
3982 v4rholapl2tau[5] = 0.0e0; in func_pol()
3985 v4rholapl2tau[6] = 0.0e0; in func_pol()
3988 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c474 v4rholapl2tau[0] = 0.0e0; in func_unpol()
966 v4rholapl2tau[0] = 0.0e0; in func_ferr()
4211 v4rholapl2tau[0] = 0.0e0; in func_pol()
4214 v4rholapl2tau[1] = 0.0e0; in func_pol()
4217 v4rholapl2tau[2] = 0.0e0; in func_pol()
4220 v4rholapl2tau[3] = 0.0e0; in func_pol()
4223 v4rholapl2tau[4] = 0.0e0; in func_pol()
4226 v4rholapl2tau[5] = 0.0e0; in func_pol()
4229 v4rholapl2tau[6] = 0.0e0; in func_pol()
4232 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c413 v4rholapl2tau[0] = 0.0e0; in func_unpol()
878 v4rholapl2tau[0] = 0.0e0; in func_ferr()
4105 v4rholapl2tau[0] = 0.0e0; in func_pol()
4108 v4rholapl2tau[1] = 0.0e0; in func_pol()
4111 v4rholapl2tau[2] = 0.0e0; in func_pol()
4114 v4rholapl2tau[3] = 0.0e0; in func_pol()
4117 v4rholapl2tau[4] = 0.0e0; in func_pol()
4120 v4rholapl2tau[5] = 0.0e0; in func_pol()
4123 v4rholapl2tau[6] = 0.0e0; in func_pol()
4126 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c583 v4rholapl2tau[0] = 0.0e0; in func_unpol()
1210 v4rholapl2tau[0] = 0.0e0; in func_ferr()
4212 v4rholapl2tau[0] = 0.0e0; in func_pol()
4215 v4rholapl2tau[1] = 0.0e0; in func_pol()
4218 v4rholapl2tau[2] = 0.0e0; in func_pol()
4221 v4rholapl2tau[3] = 0.0e0; in func_pol()
4224 v4rholapl2tau[4] = 0.0e0; in func_pol()
4227 v4rholapl2tau[5] = 0.0e0; in func_pol()
4230 v4rholapl2tau[6] = 0.0e0; in func_pol()
4233 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c1098 v4rholapl2tau[0] = 0.0e0; in func_unpol()
2182 v4rholapl2tau[0] = 0.0e0; in func_ferr()
5974 v4rholapl2tau[0] = 0.0e0; in func_pol()
5977 v4rholapl2tau[1] = 0.0e0; in func_pol()
5980 v4rholapl2tau[2] = 0.0e0; in func_pol()
5983 v4rholapl2tau[3] = 0.0e0; in func_pol()
5986 v4rholapl2tau[4] = 0.0e0; in func_pol()
5989 v4rholapl2tau[5] = 0.0e0; in func_pol()
5992 v4rholapl2tau[6] = 0.0e0; in func_pol()
5995 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c938 v4rholapl2tau[0] = 0.0e0; in func_unpol()
1971 v4rholapl2tau[0] = 0.0e0; in func_ferr()
6250 v4rholapl2tau[0] = 0.0e0; in func_pol()
6253 v4rholapl2tau[1] = 0.0e0; in func_pol()
6256 v4rholapl2tau[2] = 0.0e0; in func_pol()
6259 v4rholapl2tau[3] = 0.0e0; in func_pol()
6262 v4rholapl2tau[4] = 0.0e0; in func_pol()
6265 v4rholapl2tau[5] = 0.0e0; in func_pol()
6268 v4rholapl2tau[6] = 0.0e0; in func_pol()
6271 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c844 v4rholapl2tau[0] = 0.0e0; in func_unpol()
1722 v4rholapl2tau[0] = 0.0e0; in func_ferr()
6212 v4rholapl2tau[0] = 0.0e0; in func_pol()
6215 v4rholapl2tau[1] = 0.0e0; in func_pol()
6218 v4rholapl2tau[2] = 0.0e0; in func_pol()
6221 v4rholapl2tau[3] = 0.0e0; in func_pol()
6224 v4rholapl2tau[4] = 0.0e0; in func_pol()
6227 v4rholapl2tau[5] = 0.0e0; in func_pol()
6230 v4rholapl2tau[6] = 0.0e0; in func_pol()
6233 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c1159 v4rholapl2tau[0] = 0.0e0; in func_unpol()
2294 v4rholapl2tau[0] = 0.0e0; in func_ferr()
7111 v4rholapl2tau[0] = 0.0e0; in func_pol()
7114 v4rholapl2tau[1] = 0.0e0; in func_pol()
7117 v4rholapl2tau[2] = 0.0e0; in func_pol()
7120 v4rholapl2tau[3] = 0.0e0; in func_pol()
7123 v4rholapl2tau[4] = 0.0e0; in func_pol()
7126 v4rholapl2tau[5] = 0.0e0; in func_pol()
7129 v4rholapl2tau[6] = 0.0e0; in func_pol()
7132 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c1241 v4rholapl2tau[0] = 0.0e0; in func_unpol()
2572 v4rholapl2tau[0] = 0.0e0; in func_ferr()
6903 v4rholapl2tau[0] = 0.0e0; in func_pol()
6906 v4rholapl2tau[1] = 0.0e0; in func_pol()
6909 v4rholapl2tau[2] = 0.0e0; in func_pol()
6912 v4rholapl2tau[3] = 0.0e0; in func_pol()
6915 v4rholapl2tau[4] = 0.0e0; in func_pol()
6918 v4rholapl2tau[5] = 0.0e0; in func_pol()
6921 v4rholapl2tau[6] = 0.0e0; in func_pol()
6924 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c1040 v4rholapl2tau[0] = 0.0e0; in func_unpol()
2128 v4rholapl2tau[0] = 0.0e0; in func_ferr()
7058 v4rholapl2tau[0] = 0.0e0; in func_pol()
7061 v4rholapl2tau[1] = 0.0e0; in func_pol()
7064 v4rholapl2tau[2] = 0.0e0; in func_pol()
7067 v4rholapl2tau[3] = 0.0e0; in func_pol()
7070 v4rholapl2tau[4] = 0.0e0; in func_pol()
7073 v4rholapl2tau[5] = 0.0e0; in func_pol()
7076 v4rholapl2tau[6] = 0.0e0; in func_pol()
7079 v4rholapl2tau[7] = 0.0e0; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c1207 v4rholapl2tau[0] = -t1390 * t30; in func_ferr()
2688 v4rholapl2tau[1] = 0.0e0; in func_pol()
2691 v4rholapl2tau[2] = 0.0e0; in func_pol()
2694 v4rholapl2tau[3] = 0.0e0; in func_pol()
2697 v4rholapl2tau[4] = 0.0e0; in func_pol()
2700 v4rholapl2tau[5] = 0.0e0; in func_pol()
2703 v4rholapl2tau[6] = 0.0e0; in func_pol()
2706 v4rholapl2tau[7] = 0.0e0; in func_pol()
2709 v4rholapl2tau[8] = 0.0e0; in func_pol()
2712 v4rholapl2tau[9] = 0.0e0; in func_pol()
[all …]

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