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Searched refs:v4sigma3tau (Results 1 – 25 of 71) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c283 dim->v4sigma4 = dim->v4sigma3lapl = dim->v4sigma3tau = dim->v4sigma2lapl2 = 1; in internal_counters_set_mgga()
333 dim->v4sigma3tau = 10*3; in internal_counters_set_mgga()
599 *v4sigma3tau += pos*dim->v4sigma3tau + offset; in internal_counters_mgga_random()
693 *v4sigma3tau += dim->v4sigma3tau + offset; in internal_counters_mgga_next()
787 *v4sigma3tau -= dim->v4sigma3tau + offset; in internal_counters_mgga_prev()
H A Dmgga.c153 assert(v4sigma3tau != NULL); in xc_mgga()
192 libxc_memset(v4sigma3tau, 0, dim->v4sigma3tau *np*sizeof(double)); in xc_mgga()
416 double *v4sigma4, double *v4sigma3lapl, double *v4sigma3tau, double *v4sigma2lapl2, in xc_mgga_lxc() argument
430 v4sigma4, v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, in xc_mgga_lxc()
H A Dlibxc_master.F90620 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
641 … v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
768 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
781 … v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
1322 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, & argument
1342 … v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
1357 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
1520 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, & argument
1532 … v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
1541 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
H A Dxc.h108 P_ v4sigma4, P_ v4sigma3lapl, P_ v4sigma3tau, P_ v4sigma2lapl2, \
364 double *v4sigma4, double *v4sigma3lapl, double *v4sigma3tau, double *v4sigma2lapl2,
H A Dmix_func.c261 v4sigma3tau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4sigma3tau); in xc_mix_func()
429 sum_var(v4sigma3tau); in xc_mix_func()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c276 v4sigma3tau[0] = 0.0e0; in func_unpol()
591 v4sigma3tau[0] = 0.0e0; in func_ferr()
2802 v4sigma3tau[0] = 0.0e0; in func_pol()
2805 v4sigma3tau[1] = 0.0e0; in func_pol()
2808 v4sigma3tau[2] = 0.0e0; in func_pol()
2811 v4sigma3tau[3] = 0.0e0; in func_pol()
2814 v4sigma3tau[4] = 0.0e0; in func_pol()
2817 v4sigma3tau[5] = 0.0e0; in func_pol()
2820 v4sigma3tau[6] = 0.0e0; in func_pol()
2823 v4sigma3tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c307 v4sigma3tau[0] = 0.0e0; in func_unpol()
653 v4sigma3tau[0] = 0.0e0; in func_ferr()
2906 v4sigma3tau[0] = 0.0e0; in func_pol()
2909 v4sigma3tau[1] = 0.0e0; in func_pol()
2912 v4sigma3tau[2] = 0.0e0; in func_pol()
2915 v4sigma3tau[3] = 0.0e0; in func_pol()
2918 v4sigma3tau[4] = 0.0e0; in func_pol()
2921 v4sigma3tau[5] = 0.0e0; in func_pol()
2924 v4sigma3tau[6] = 0.0e0; in func_pol()
2927 v4sigma3tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c293 v4sigma3tau[0] = 0.0e0; in func_unpol()
622 v4sigma3tau[0] = 0.0e0; in func_ferr()
3221 v4sigma3tau[0] = 0.0e0; in func_pol()
3224 v4sigma3tau[1] = 0.0e0; in func_pol()
3227 v4sigma3tau[2] = 0.0e0; in func_pol()
3230 v4sigma3tau[3] = 0.0e0; in func_pol()
3233 v4sigma3tau[4] = 0.0e0; in func_pol()
3236 v4sigma3tau[5] = 0.0e0; in func_pol()
3239 v4sigma3tau[6] = 0.0e0; in func_pol()
3242 v4sigma3tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c298 v4sigma3tau[0] = 0.0e0; in func_unpol()
627 v4sigma3tau[0] = 0.0e0; in func_ferr()
3241 v4sigma3tau[0] = 0.0e0; in func_pol()
3244 v4sigma3tau[1] = 0.0e0; in func_pol()
3247 v4sigma3tau[2] = 0.0e0; in func_pol()
3250 v4sigma3tau[3] = 0.0e0; in func_pol()
3253 v4sigma3tau[4] = 0.0e0; in func_pol()
3256 v4sigma3tau[5] = 0.0e0; in func_pol()
3259 v4sigma3tau[6] = 0.0e0; in func_pol()
3262 v4sigma3tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c391 v4sigma3tau[0] = 0.0e0; in func_unpol()
819 v4sigma3tau[0] = 0.0e0; in func_ferr()
3549 v4sigma3tau[0] = 0.0e0; in func_pol()
3552 v4sigma3tau[1] = 0.0e0; in func_pol()
3555 v4sigma3tau[2] = 0.0e0; in func_pol()
3558 v4sigma3tau[3] = 0.0e0; in func_pol()
3561 v4sigma3tau[4] = 0.0e0; in func_pol()
3564 v4sigma3tau[5] = 0.0e0; in func_pol()
3567 v4sigma3tau[6] = 0.0e0; in func_pol()
3570 v4sigma3tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c321 v4sigma3tau[0] = 0.0e0; in func_unpol()
575 v4sigma3tau[0] = 0.0e0; in func_ferr()
3839 v4sigma3tau[0] = 0.0e0; in func_pol()
3842 v4sigma3tau[1] = 0.0e0; in func_pol()
3845 v4sigma3tau[2] = 0.0e0; in func_pol()
3848 v4sigma3tau[3] = 0.0e0; in func_pol()
3851 v4sigma3tau[4] = 0.0e0; in func_pol()
3854 v4sigma3tau[5] = 0.0e0; in func_pol()
3857 v4sigma3tau[6] = 0.0e0; in func_pol()
3860 v4sigma3tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c3625 v4sigma3tau[1] = 0.0e0; in func_pol()
3628 v4sigma3tau[2] = 0.0e0; in func_pol()
3631 v4sigma3tau[3] = 0.0e0; in func_pol()
3634 v4sigma3tau[4] = 0.0e0; in func_pol()
3637 v4sigma3tau[5] = 0.0e0; in func_pol()
3640 v4sigma3tau[6] = 0.0e0; in func_pol()
3643 v4sigma3tau[7] = 0.0e0; in func_pol()
3646 v4sigma3tau[8] = 0.0e0; in func_pol()
3649 v4sigma3tau[9] = 0.0e0; in func_pol()
3652 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c4221 v4sigma3tau[1] = 0.0e0; in func_pol()
4224 v4sigma3tau[2] = 0.0e0; in func_pol()
4227 v4sigma3tau[3] = 0.0e0; in func_pol()
4230 v4sigma3tau[4] = 0.0e0; in func_pol()
4233 v4sigma3tau[5] = 0.0e0; in func_pol()
4236 v4sigma3tau[6] = 0.0e0; in func_pol()
4239 v4sigma3tau[7] = 0.0e0; in func_pol()
4242 v4sigma3tau[8] = 0.0e0; in func_pol()
4245 v4sigma3tau[9] = 0.0e0; in func_pol()
4248 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c4180 v4sigma3tau[1] = 0.0e0; in func_pol()
4183 v4sigma3tau[2] = 0.0e0; in func_pol()
4186 v4sigma3tau[3] = 0.0e0; in func_pol()
4189 v4sigma3tau[4] = 0.0e0; in func_pol()
4192 v4sigma3tau[5] = 0.0e0; in func_pol()
4195 v4sigma3tau[6] = 0.0e0; in func_pol()
4198 v4sigma3tau[7] = 0.0e0; in func_pol()
4201 v4sigma3tau[8] = 0.0e0; in func_pol()
4204 v4sigma3tau[9] = 0.0e0; in func_pol()
4207 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c4421 v4sigma3tau[1] = 0.0e0; in func_pol()
4424 v4sigma3tau[2] = 0.0e0; in func_pol()
4427 v4sigma3tau[3] = 0.0e0; in func_pol()
4430 v4sigma3tau[4] = 0.0e0; in func_pol()
4433 v4sigma3tau[5] = 0.0e0; in func_pol()
4436 v4sigma3tau[6] = 0.0e0; in func_pol()
4439 v4sigma3tau[7] = 0.0e0; in func_pol()
4442 v4sigma3tau[8] = 0.0e0; in func_pol()
4445 v4sigma3tau[9] = 0.0e0; in func_pol()
4448 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c428 v4sigma3tau[0] = 0.0e0; in func_unpol()
893 v4sigma3tau[0] = 0.0e0; in func_ferr()
4306 v4sigma3tau[0] = 0.0e0; in func_pol()
4309 v4sigma3tau[1] = 0.0e0; in func_pol()
4312 v4sigma3tau[2] = 0.0e0; in func_pol()
4315 v4sigma3tau[3] = 0.0e0; in func_pol()
4318 v4sigma3tau[4] = 0.0e0; in func_pol()
4321 v4sigma3tau[5] = 0.0e0; in func_pol()
4324 v4sigma3tau[6] = 0.0e0; in func_pol()
4327 v4sigma3tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c4426 v4sigma3tau[1] = 0.0e0; in func_pol()
4429 v4sigma3tau[2] = 0.0e0; in func_pol()
4432 v4sigma3tau[3] = 0.0e0; in func_pol()
4435 v4sigma3tau[4] = 0.0e0; in func_pol()
4438 v4sigma3tau[5] = 0.0e0; in func_pol()
4441 v4sigma3tau[6] = 0.0e0; in func_pol()
4444 v4sigma3tau[7] = 0.0e0; in func_pol()
4447 v4sigma3tau[8] = 0.0e0; in func_pol()
4450 v4sigma3tau[9] = 0.0e0; in func_pol()
4453 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c6197 v4sigma3tau[1] = 0.0e0; in func_pol()
6200 v4sigma3tau[2] = 0.0e0; in func_pol()
6203 v4sigma3tau[3] = 0.0e0; in func_pol()
6206 v4sigma3tau[4] = 0.0e0; in func_pol()
6209 v4sigma3tau[5] = 0.0e0; in func_pol()
6212 v4sigma3tau[6] = 0.0e0; in func_pol()
6215 v4sigma3tau[7] = 0.0e0; in func_pol()
6218 v4sigma3tau[8] = 0.0e0; in func_pol()
6221 v4sigma3tau[9] = 0.0e0; in func_pol()
6224 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c6495 v4sigma3tau[1] = 0.0e0; in func_pol()
6498 v4sigma3tau[2] = 0.0e0; in func_pol()
6501 v4sigma3tau[3] = 0.0e0; in func_pol()
6504 v4sigma3tau[4] = 0.0e0; in func_pol()
6507 v4sigma3tau[5] = 0.0e0; in func_pol()
6510 v4sigma3tau[6] = 0.0e0; in func_pol()
6513 v4sigma3tau[7] = 0.0e0; in func_pol()
6516 v4sigma3tau[8] = 0.0e0; in func_pol()
6519 v4sigma3tau[9] = 0.0e0; in func_pol()
6522 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c6442 v4sigma3tau[1] = 0.0e0; in func_pol()
6445 v4sigma3tau[2] = 0.0e0; in func_pol()
6448 v4sigma3tau[3] = 0.0e0; in func_pol()
6451 v4sigma3tau[4] = 0.0e0; in func_pol()
6454 v4sigma3tau[5] = 0.0e0; in func_pol()
6457 v4sigma3tau[6] = 0.0e0; in func_pol()
6460 v4sigma3tau[7] = 0.0e0; in func_pol()
6463 v4sigma3tau[8] = 0.0e0; in func_pol()
6466 v4sigma3tau[9] = 0.0e0; in func_pol()
6469 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c7335 v4sigma3tau[1] = 0.0e0; in func_pol()
7338 v4sigma3tau[2] = 0.0e0; in func_pol()
7341 v4sigma3tau[3] = 0.0e0; in func_pol()
7344 v4sigma3tau[4] = 0.0e0; in func_pol()
7347 v4sigma3tau[5] = 0.0e0; in func_pol()
7350 v4sigma3tau[6] = 0.0e0; in func_pol()
7353 v4sigma3tau[7] = 0.0e0; in func_pol()
7356 v4sigma3tau[8] = 0.0e0; in func_pol()
7359 v4sigma3tau[9] = 0.0e0; in func_pol()
7362 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c7152 v4sigma3tau[1] = 0.0e0; in func_pol()
7155 v4sigma3tau[2] = 0.0e0; in func_pol()
7158 v4sigma3tau[3] = 0.0e0; in func_pol()
7161 v4sigma3tau[4] = 0.0e0; in func_pol()
7164 v4sigma3tau[5] = 0.0e0; in func_pol()
7167 v4sigma3tau[6] = 0.0e0; in func_pol()
7170 v4sigma3tau[7] = 0.0e0; in func_pol()
7173 v4sigma3tau[8] = 0.0e0; in func_pol()
7176 v4sigma3tau[9] = 0.0e0; in func_pol()
7179 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c7299 v4sigma3tau[1] = 0.0e0; in func_pol()
7302 v4sigma3tau[2] = 0.0e0; in func_pol()
7305 v4sigma3tau[3] = 0.0e0; in func_pol()
7308 v4sigma3tau[4] = 0.0e0; in func_pol()
7311 v4sigma3tau[5] = 0.0e0; in func_pol()
7314 v4sigma3tau[6] = 0.0e0; in func_pol()
7317 v4sigma3tau[7] = 0.0e0; in func_pol()
7320 v4sigma3tau[8] = 0.0e0; in func_pol()
7323 v4sigma3tau[9] = 0.0e0; in func_pol()
7326 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_ms.c7055 v4sigma3tau[1] = 0.0e0; in func_pol()
7058 v4sigma3tau[2] = 0.0e0; in func_pol()
7061 v4sigma3tau[3] = 0.0e0; in func_pol()
7064 v4sigma3tau[4] = 0.0e0; in func_pol()
7067 v4sigma3tau[5] = 0.0e0; in func_pol()
7070 v4sigma3tau[6] = 0.0e0; in func_pol()
7073 v4sigma3tau[7] = 0.0e0; in func_pol()
7076 v4sigma3tau[8] = 0.0e0; in func_pol()
7079 v4sigma3tau[9] = 0.0e0; in func_pol()
7082 v4sigma3tau[10] = 0.0e0; in func_pol()
[all …]
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901215 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
1236 v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
1363 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
1376 v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
1969 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, & argument
1989 v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
2004 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
2167 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, & argument
2179 v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
2188 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &

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