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Searched refs:v4sigma3lapl (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()
332 dim->v4sigma3lapl = 10*2; in internal_counters_set_mgga()
582 *v4sigma3lapl += pos*dim->v4sigma3lapl + offset; in internal_counters_mgga_random()
676 *v4sigma3lapl += dim->v4sigma3lapl + offset; in internal_counters_mgga_next()
770 *v4sigma3lapl -= dim->v4sigma3lapl + offset; in internal_counters_mgga_prev()
H A Dmgga.c169 assert(v4sigma3lapl != NULL); in xc_mgga()
208 libxc_memset(v4sigma3lapl, 0, dim->v4sigma3lapl *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.c260 v4sigma3lapl_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4sigma3lapl); in xc_mix_func()
412 sum_var(v4sigma3lapl); in xc_mix_func()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c273 v4sigma3lapl[0] = 0.0e0; in func_unpol()
588 v4sigma3lapl[0] = 0.0e0; in func_ferr()
2742 v4sigma3lapl[0] = 0.0e0; in func_pol()
2745 v4sigma3lapl[1] = 0.0e0; in func_pol()
2748 v4sigma3lapl[2] = 0.0e0; in func_pol()
2751 v4sigma3lapl[3] = 0.0e0; in func_pol()
2754 v4sigma3lapl[4] = 0.0e0; in func_pol()
2757 v4sigma3lapl[5] = 0.0e0; in func_pol()
2760 v4sigma3lapl[6] = 0.0e0; in func_pol()
2763 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c304 v4sigma3lapl[0] = 0.0e0; in func_unpol()
650 v4sigma3lapl[0] = 0.0e0; in func_ferr()
2846 v4sigma3lapl[0] = 0.0e0; in func_pol()
2849 v4sigma3lapl[1] = 0.0e0; in func_pol()
2852 v4sigma3lapl[2] = 0.0e0; in func_pol()
2855 v4sigma3lapl[3] = 0.0e0; in func_pol()
2858 v4sigma3lapl[4] = 0.0e0; in func_pol()
2861 v4sigma3lapl[5] = 0.0e0; in func_pol()
2864 v4sigma3lapl[6] = 0.0e0; in func_pol()
2867 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c290 v4sigma3lapl[0] = 0.0e0; in func_unpol()
619 v4sigma3lapl[0] = 0.0e0; in func_ferr()
3161 v4sigma3lapl[0] = 0.0e0; in func_pol()
3164 v4sigma3lapl[1] = 0.0e0; in func_pol()
3167 v4sigma3lapl[2] = 0.0e0; in func_pol()
3170 v4sigma3lapl[3] = 0.0e0; in func_pol()
3173 v4sigma3lapl[4] = 0.0e0; in func_pol()
3176 v4sigma3lapl[5] = 0.0e0; in func_pol()
3179 v4sigma3lapl[6] = 0.0e0; in func_pol()
3182 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c295 v4sigma3lapl[0] = 0.0e0; in func_unpol()
624 v4sigma3lapl[0] = 0.0e0; in func_ferr()
3181 v4sigma3lapl[0] = 0.0e0; in func_pol()
3184 v4sigma3lapl[1] = 0.0e0; in func_pol()
3187 v4sigma3lapl[2] = 0.0e0; in func_pol()
3190 v4sigma3lapl[3] = 0.0e0; in func_pol()
3193 v4sigma3lapl[4] = 0.0e0; in func_pol()
3196 v4sigma3lapl[5] = 0.0e0; in func_pol()
3199 v4sigma3lapl[6] = 0.0e0; in func_pol()
3202 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c388 v4sigma3lapl[0] = 0.0e0; in func_unpol()
816 v4sigma3lapl[0] = 0.0e0; in func_ferr()
3489 v4sigma3lapl[0] = 0.0e0; in func_pol()
3492 v4sigma3lapl[1] = 0.0e0; in func_pol()
3495 v4sigma3lapl[2] = 0.0e0; in func_pol()
3498 v4sigma3lapl[3] = 0.0e0; in func_pol()
3501 v4sigma3lapl[4] = 0.0e0; in func_pol()
3504 v4sigma3lapl[5] = 0.0e0; in func_pol()
3507 v4sigma3lapl[6] = 0.0e0; in func_pol()
3510 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c318 v4sigma3lapl[0] = 0.0e0; in func_unpol()
572 v4sigma3lapl[0] = 0.0e0; in func_ferr()
3779 v4sigma3lapl[0] = 0.0e0; in func_pol()
3782 v4sigma3lapl[1] = 0.0e0; in func_pol()
3785 v4sigma3lapl[2] = 0.0e0; in func_pol()
3788 v4sigma3lapl[3] = 0.0e0; in func_pol()
3791 v4sigma3lapl[4] = 0.0e0; in func_pol()
3794 v4sigma3lapl[5] = 0.0e0; in func_pol()
3797 v4sigma3lapl[6] = 0.0e0; in func_pol()
3800 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c383 v4sigma3lapl[0] = 0.0e0; in func_unpol()
797 v4sigma3lapl[0] = 0.0e0; in func_ferr()
3562 v4sigma3lapl[0] = 0.0e0; in func_pol()
3565 v4sigma3lapl[1] = 0.0e0; in func_pol()
3568 v4sigma3lapl[2] = 0.0e0; in func_pol()
3571 v4sigma3lapl[3] = 0.0e0; in func_pol()
3574 v4sigma3lapl[4] = 0.0e0; in func_pol()
3577 v4sigma3lapl[5] = 0.0e0; in func_pol()
3580 v4sigma3lapl[6] = 0.0e0; in func_pol()
3583 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c567 v4sigma3lapl[0] = 0.0e0; in func_unpol()
1160 v4sigma3lapl[0] = 0.0e0; in func_ferr()
4157 v4sigma3lapl[0] = 0.0e0; in func_pol()
4160 v4sigma3lapl[1] = 0.0e0; in func_pol()
4163 v4sigma3lapl[2] = 0.0e0; in func_pol()
4166 v4sigma3lapl[3] = 0.0e0; in func_pol()
4169 v4sigma3lapl[4] = 0.0e0; in func_pol()
4172 v4sigma3lapl[5] = 0.0e0; in func_pol()
4175 v4sigma3lapl[6] = 0.0e0; in func_pol()
4178 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c462 v4sigma3lapl[0] = 0.0e0; in func_unpol()
951 v4sigma3lapl[0] = 0.0e0; in func_ferr()
4116 v4sigma3lapl[0] = 0.0e0; in func_pol()
4119 v4sigma3lapl[1] = 0.0e0; in func_pol()
4122 v4sigma3lapl[2] = 0.0e0; in func_pol()
4125 v4sigma3lapl[3] = 0.0e0; in func_pol()
4128 v4sigma3lapl[4] = 0.0e0; in func_pol()
4131 v4sigma3lapl[5] = 0.0e0; in func_pol()
4134 v4sigma3lapl[6] = 0.0e0; in func_pol()
4137 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c487 v4sigma3lapl[0] = 0.0e0; in func_unpol()
979 v4sigma3lapl[0] = 0.0e0; in func_ferr()
4358 v4sigma3lapl[0] = 0.0e0; in func_pol()
4361 v4sigma3lapl[1] = 0.0e0; in func_pol()
4364 v4sigma3lapl[2] = 0.0e0; in func_pol()
4367 v4sigma3lapl[3] = 0.0e0; in func_pol()
4370 v4sigma3lapl[4] = 0.0e0; in func_pol()
4373 v4sigma3lapl[5] = 0.0e0; in func_pol()
4376 v4sigma3lapl[6] = 0.0e0; in func_pol()
4379 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c425 v4sigma3lapl[0] = 0.0e0; in func_unpol()
890 v4sigma3lapl[0] = 0.0e0; in func_ferr()
4246 v4sigma3lapl[0] = 0.0e0; in func_pol()
4249 v4sigma3lapl[1] = 0.0e0; in func_pol()
4252 v4sigma3lapl[2] = 0.0e0; in func_pol()
4255 v4sigma3lapl[3] = 0.0e0; in func_pol()
4258 v4sigma3lapl[4] = 0.0e0; in func_pol()
4261 v4sigma3lapl[5] = 0.0e0; in func_pol()
4264 v4sigma3lapl[6] = 0.0e0; in func_pol()
4267 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c600 v4sigma3lapl[0] = 0.0e0; in func_unpol()
1226 v4sigma3lapl[0] = 0.0e0; in func_ferr()
4363 v4sigma3lapl[0] = 0.0e0; in func_pol()
4366 v4sigma3lapl[1] = 0.0e0; in func_pol()
4369 v4sigma3lapl[2] = 0.0e0; in func_pol()
4372 v4sigma3lapl[3] = 0.0e0; in func_pol()
4375 v4sigma3lapl[4] = 0.0e0; in func_pol()
4378 v4sigma3lapl[5] = 0.0e0; in func_pol()
4381 v4sigma3lapl[6] = 0.0e0; in func_pol()
4384 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c1131 v4sigma3lapl[0] = 0.0e0; in func_unpol()
2201 v4sigma3lapl[0] = 0.0e0; in func_ferr()
6131 v4sigma3lapl[0] = 0.0e0; in func_pol()
6134 v4sigma3lapl[1] = 0.0e0; in func_pol()
6137 v4sigma3lapl[2] = 0.0e0; in func_pol()
6140 v4sigma3lapl[3] = 0.0e0; in func_pol()
6143 v4sigma3lapl[4] = 0.0e0; in func_pol()
6146 v4sigma3lapl[5] = 0.0e0; in func_pol()
6149 v4sigma3lapl[6] = 0.0e0; in func_pol()
6152 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c960 v4sigma3lapl[0] = 0.0e0; in func_unpol()
2002 v4sigma3lapl[0] = 0.0e0; in func_ferr()
6432 v4sigma3lapl[0] = 0.0e0; in func_pol()
6435 v4sigma3lapl[1] = 0.0e0; in func_pol()
6438 v4sigma3lapl[2] = 0.0e0; in func_pol()
6441 v4sigma3lapl[3] = 0.0e0; in func_pol()
6444 v4sigma3lapl[4] = 0.0e0; in func_pol()
6447 v4sigma3lapl[5] = 0.0e0; in func_pol()
6450 v4sigma3lapl[6] = 0.0e0; in func_pol()
6453 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c869 v4sigma3lapl[0] = 0.0e0; in func_unpol()
1745 v4sigma3lapl[0] = 0.0e0; in func_ferr()
6377 v4sigma3lapl[0] = 0.0e0; in func_pol()
6380 v4sigma3lapl[1] = 0.0e0; in func_pol()
6383 v4sigma3lapl[2] = 0.0e0; in func_pol()
6386 v4sigma3lapl[3] = 0.0e0; in func_pol()
6389 v4sigma3lapl[4] = 0.0e0; in func_pol()
6392 v4sigma3lapl[5] = 0.0e0; in func_pol()
6395 v4sigma3lapl[6] = 0.0e0; in func_pol()
6398 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c1188 v4sigma3lapl[0] = 0.0e0; in func_unpol()
2311 v4sigma3lapl[0] = 0.0e0; in func_ferr()
7270 v4sigma3lapl[0] = 0.0e0; in func_pol()
7273 v4sigma3lapl[1] = 0.0e0; in func_pol()
7276 v4sigma3lapl[2] = 0.0e0; in func_pol()
7279 v4sigma3lapl[3] = 0.0e0; in func_pol()
7282 v4sigma3lapl[4] = 0.0e0; in func_pol()
7285 v4sigma3lapl[5] = 0.0e0; in func_pol()
7288 v4sigma3lapl[6] = 0.0e0; in func_pol()
7291 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c1269 v4sigma3lapl[0] = 0.0e0; in func_unpol()
2606 v4sigma3lapl[0] = 0.0e0; in func_ferr()
7089 v4sigma3lapl[0] = 0.0e0; in func_pol()
7092 v4sigma3lapl[1] = 0.0e0; in func_pol()
7095 v4sigma3lapl[2] = 0.0e0; in func_pol()
7098 v4sigma3lapl[3] = 0.0e0; in func_pol()
7101 v4sigma3lapl[4] = 0.0e0; in func_pol()
7104 v4sigma3lapl[5] = 0.0e0; in func_pol()
7107 v4sigma3lapl[6] = 0.0e0; in func_pol()
7110 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c1066 v4sigma3lapl[0] = 0.0e0; in func_unpol()
2156 v4sigma3lapl[0] = 0.0e0; in func_ferr()
7235 v4sigma3lapl[0] = 0.0e0; in func_pol()
7238 v4sigma3lapl[1] = 0.0e0; in func_pol()
7241 v4sigma3lapl[2] = 0.0e0; in func_pol()
7244 v4sigma3lapl[3] = 0.0e0; in func_pol()
7247 v4sigma3lapl[4] = 0.0e0; in func_pol()
7250 v4sigma3lapl[5] = 0.0e0; in func_pol()
7253 v4sigma3lapl[6] = 0.0e0; in func_pol()
7256 v4sigma3lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_ms.c1298 v4sigma3lapl[0] = 0.0e0; in func_unpol()
2585 v4sigma3lapl[0] = 0.0e0; in func_ferr()
6987 v4sigma3lapl[0] = 0.0e0; in func_pol()
6990 v4sigma3lapl[1] = 0.0e0; in func_pol()
6993 v4sigma3lapl[2] = 0.0e0; in func_pol()
6996 v4sigma3lapl[3] = 0.0e0; in func_pol()
6999 v4sigma3lapl[4] = 0.0e0; in func_pol()
7002 v4sigma3lapl[5] = 0.0e0; in func_pol()
7005 v4sigma3lapl[6] = 0.0e0; in func_pol()
7008 v4sigma3lapl[7] = 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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