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Searched refs:v4rhosigma2lapl (Results 1 – 25 of 73) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c280 dim->v4rho2tau2 = dim->v4rhosigma3 = dim->v4rhosigma2lapl = dim->v4rhosigma2tau = 1; in internal_counters_set_mgga()
323 dim->v4rhosigma2lapl = 3*6*2; in internal_counters_set_mgga()
576 *v4rhosigma2lapl += pos*dim->v4rhosigma2lapl + offset; in internal_counters_mgga_random()
670 *v4rhosigma2lapl += dim->v4rhosigma2lapl + offset; in internal_counters_mgga_next()
764 *v4rhosigma2lapl -= dim->v4rhosigma2lapl + offset; in internal_counters_mgga_prev()
H A Dmgga.c163 assert(v4rhosigma2lapl != NULL); in xc_mgga()
202 libxc_memset(v4rhosigma2lapl, 0, dim->v4rhosigma2lapl *np*sizeof(double)); in xc_mgga()
413 … double *v4rho2tau2, double *v4rhosigma3, double *v4rhosigma2lapl, double *v4rhosigma2tau, in xc_mgga_lxc() argument
427 v4rho2tau2, v4rhosigma3, v4rhosigma2lapl, v4rhosigma2tau, in xc_mgga_lxc()
H A Dlibxc_master.F90618 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, &
639 … v4rhosigma2lapl(*), v4rhosigma2tau(*), v4rhosigmalapl2(*), v4rhosigmalapltau(*), & local
766 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, &
779 … v4rhosigma2lapl(*), v4rhosigma2tau(*), v4rhosigmalapl2(*), v4rhosigmalapltau(*), & local
1320 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, & argument
1340 … v4rhosigma2lapl(*), v4rhosigma2tau(*), v4rhosigmalapl2(*), v4rhosigmalapltau(*), & local
1355 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, &
1518 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, & argument
1530 … v4rhosigma2lapl(*), v4rhosigma2tau(*), v4rhosigmalapl2(*), v4rhosigmalapltau(*), & local
1539 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, &
H A Dxc.h105 P_ v4rho2tau2, P_ v4rhosigma3, P_ v4rhosigma2lapl, P_ v4rhosigma2tau, \
361 double *v4rho2tau2, double *v4rhosigma3, double *v4rhosigma2lapl, double *v4rhosigma2tau,
H A Dmix_func.c251 v4rhosigma2lapl_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rhosigma2lapl); in xc_mix_func()
406 sum_var(v4rhosigma2lapl); in xc_mix_func()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c243 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
558 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
2253 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
2256 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
2259 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
2262 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
2265 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
2268 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
2271 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
2274 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c274 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
620 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
2357 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
2360 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
2363 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
2366 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
2369 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
2372 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
2375 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
2378 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c260 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
589 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
2672 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
2675 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
2678 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
2681 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
2684 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
2687 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
2690 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
2693 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c265 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
594 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
2686 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
2689 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
2692 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
2695 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
2698 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
2701 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
2704 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
2707 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c351 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
779 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
2978 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
2981 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
2984 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
2987 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
2990 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
2993 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
2996 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
2999 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c288 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
542 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
3290 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
3293 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
3296 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
3299 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
3302 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
3305 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
3308 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
3311 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c351 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
764 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
3061 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
3064 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
3067 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
3070 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
3073 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
3076 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
3079 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
3082 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c529 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
1123 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
3648 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
3651 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
3654 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
3657 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
3660 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
3663 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
3666 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
3669 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c425 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
915 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
3595 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
3598 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
3601 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
3604 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
3607 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
3610 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
3613 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
3616 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c455 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
947 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
3855 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
3858 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
3861 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
3864 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
3867 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
3870 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
3873 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
3876 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c394 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
859 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
3727 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
3730 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
3733 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
3736 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
3739 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
3742 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
3745 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
3748 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c565 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
1192 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
3858 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
3861 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
3864 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
3867 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
3870 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
3873 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
3876 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
3879 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c1058 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
2150 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
5594 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
5597 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
5600 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
5603 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
5606 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
5609 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
5612 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
5615 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c920 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
1953 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
5894 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
5897 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
5900 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
5903 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
5906 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
5909 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
5912 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
5915 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c803 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
1682 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
5804 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
5807 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
5810 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
5813 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
5816 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
5819 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
5822 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
5825 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c1119 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
2262 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
6717 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
6720 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
6723 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
6726 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
6729 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
6732 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
6735 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
6738 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c1217 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
2548 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
6539 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
6542 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
6545 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
6548 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
6551 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
6554 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
6557 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
6560 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c1002 v4rhosigma2lapl[0] = 0.0e0; in func_unpol()
2096 v4rhosigma2lapl[0] = 0.0e0; in func_ferr()
6666 v4rhosigma2lapl[0] = 0.0e0; in func_pol()
6669 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
6672 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
6675 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
6678 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
6681 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
6684 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
6687 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c2840 v4rhosigma2lapl[1] = 0.0e0; in func_pol()
2843 v4rhosigma2lapl[2] = 0.0e0; in func_pol()
2846 v4rhosigma2lapl[3] = 0.0e0; in func_pol()
2849 v4rhosigma2lapl[4] = 0.0e0; in func_pol()
2852 v4rhosigma2lapl[5] = 0.0e0; in func_pol()
2855 v4rhosigma2lapl[6] = 0.0e0; in func_pol()
2858 v4rhosigma2lapl[7] = 0.0e0; in func_pol()
2861 v4rhosigma2lapl[8] = 0.0e0; in func_pol()
2864 v4rhosigma2lapl[9] = 0.0e0; in func_pol()
2867 v4rhosigma2lapl[10] = 0.0e0; in func_pol()
[all …]
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901213 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, &
1234 v4rhosigma2lapl(*), v4rhosigma2tau(*), v4rhosigmalapl2(*), v4rhosigmalapltau(*), & local
1361 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, &
1374 v4rhosigma2lapl(*), v4rhosigma2tau(*), v4rhosigmalapl2(*), v4rhosigmalapltau(*), & local
1967 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, & argument
1987 v4rhosigma2lapl(*), v4rhosigma2tau(*), v4rhosigmalapl2(*), v4rhosigmalapltau(*), & local
2002 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, &
2165 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, & argument
2177 v4rhosigma2lapl(*), v4rhosigma2tau(*), v4rhosigmalapl2(*), v4rhosigmalapltau(*), & local
2186 v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmalapl2, v4rhosigmalapltau, &

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