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Searched refs:v4rhosigma2tau (Results 1 – 25 of 73) sorted by relevance

123

/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()
324 dim->v4rhosigma2tau = 3*6*2; in internal_counters_set_mgga()
596 *v4rhosigma2tau += pos*dim->v4rhosigma2tau + offset; in internal_counters_mgga_random()
690 *v4rhosigma2tau += dim->v4rhosigma2tau + offset; in internal_counters_mgga_next()
784 *v4rhosigma2tau -= dim->v4rhosigma2tau + offset; in internal_counters_mgga_prev()
H A Dmgga.c149 assert(v4rhosigma2tau != NULL); in xc_mgga()
188 libxc_memset(v4rhosigma2tau, 0, dim->v4rhosigma2tau*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.c252 v4rhosigma2tau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rhosigma2tau); in xc_mix_func()
426 sum_var(v4rhosigma2tau); in xc_mix_func()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c246 v4rhosigma2tau[0] = 0.0e0; in func_unpol()
561 v4rhosigma2tau[0] = 0.0e0; in func_ferr()
2325 v4rhosigma2tau[0] = 0.0e0; in func_pol()
2328 v4rhosigma2tau[1] = 0.0e0; in func_pol()
2331 v4rhosigma2tau[2] = 0.0e0; in func_pol()
2334 v4rhosigma2tau[3] = 0.0e0; in func_pol()
2337 v4rhosigma2tau[4] = 0.0e0; in func_pol()
2340 v4rhosigma2tau[5] = 0.0e0; in func_pol()
2343 v4rhosigma2tau[6] = 0.0e0; in func_pol()
2346 v4rhosigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c277 v4rhosigma2tau[0] = 0.0e0; in func_unpol()
623 v4rhosigma2tau[0] = 0.0e0; in func_ferr()
2429 v4rhosigma2tau[0] = 0.0e0; in func_pol()
2432 v4rhosigma2tau[1] = 0.0e0; in func_pol()
2435 v4rhosigma2tau[2] = 0.0e0; in func_pol()
2438 v4rhosigma2tau[3] = 0.0e0; in func_pol()
2441 v4rhosigma2tau[4] = 0.0e0; in func_pol()
2444 v4rhosigma2tau[5] = 0.0e0; in func_pol()
2447 v4rhosigma2tau[6] = 0.0e0; in func_pol()
2450 v4rhosigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c263 v4rhosigma2tau[0] = 0.0e0; in func_unpol()
592 v4rhosigma2tau[0] = 0.0e0; in func_ferr()
2744 v4rhosigma2tau[0] = 0.0e0; in func_pol()
2747 v4rhosigma2tau[1] = 0.0e0; in func_pol()
2750 v4rhosigma2tau[2] = 0.0e0; in func_pol()
2753 v4rhosigma2tau[3] = 0.0e0; in func_pol()
2756 v4rhosigma2tau[4] = 0.0e0; in func_pol()
2759 v4rhosigma2tau[5] = 0.0e0; in func_pol()
2762 v4rhosigma2tau[6] = 0.0e0; in func_pol()
2765 v4rhosigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c268 v4rhosigma2tau[0] = 0.0e0; in func_unpol()
597 v4rhosigma2tau[0] = 0.0e0; in func_ferr()
2758 v4rhosigma2tau[0] = 0.0e0; in func_pol()
2761 v4rhosigma2tau[1] = 0.0e0; in func_pol()
2764 v4rhosigma2tau[2] = 0.0e0; in func_pol()
2767 v4rhosigma2tau[3] = 0.0e0; in func_pol()
2770 v4rhosigma2tau[4] = 0.0e0; in func_pol()
2773 v4rhosigma2tau[5] = 0.0e0; in func_pol()
2776 v4rhosigma2tau[6] = 0.0e0; in func_pol()
2779 v4rhosigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c354 v4rhosigma2tau[0] = 0.0e0; in func_unpol()
782 v4rhosigma2tau[0] = 0.0e0; in func_ferr()
3050 v4rhosigma2tau[0] = 0.0e0; in func_pol()
3053 v4rhosigma2tau[1] = 0.0e0; in func_pol()
3056 v4rhosigma2tau[2] = 0.0e0; in func_pol()
3059 v4rhosigma2tau[3] = 0.0e0; in func_pol()
3062 v4rhosigma2tau[4] = 0.0e0; in func_pol()
3065 v4rhosigma2tau[5] = 0.0e0; in func_pol()
3068 v4rhosigma2tau[6] = 0.0e0; in func_pol()
3071 v4rhosigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c291 v4rhosigma2tau[0] = 0.0e0; in func_unpol()
545 v4rhosigma2tau[0] = 0.0e0; in func_ferr()
3362 v4rhosigma2tau[0] = 0.0e0; in func_pol()
3365 v4rhosigma2tau[1] = 0.0e0; in func_pol()
3368 v4rhosigma2tau[2] = 0.0e0; in func_pol()
3371 v4rhosigma2tau[3] = 0.0e0; in func_pol()
3374 v4rhosigma2tau[4] = 0.0e0; in func_pol()
3377 v4rhosigma2tau[5] = 0.0e0; in func_pol()
3380 v4rhosigma2tau[6] = 0.0e0; in func_pol()
3383 v4rhosigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c3140 v4rhosigma2tau[1] = 0.0e0; in func_pol()
3143 v4rhosigma2tau[2] = 0.0e0; in func_pol()
3146 v4rhosigma2tau[3] = 0.0e0; in func_pol()
3149 v4rhosigma2tau[4] = 0.0e0; in func_pol()
3152 v4rhosigma2tau[5] = 0.0e0; in func_pol()
3155 v4rhosigma2tau[6] = 0.0e0; in func_pol()
3158 v4rhosigma2tau[7] = 0.0e0; in func_pol()
3161 v4rhosigma2tau[8] = 0.0e0; in func_pol()
3164 v4rhosigma2tau[9] = 0.0e0; in func_pol()
3167 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c3726 v4rhosigma2tau[1] = 0.0e0; in func_pol()
3729 v4rhosigma2tau[2] = 0.0e0; in func_pol()
3732 v4rhosigma2tau[3] = 0.0e0; in func_pol()
3735 v4rhosigma2tau[4] = 0.0e0; in func_pol()
3738 v4rhosigma2tau[5] = 0.0e0; in func_pol()
3741 v4rhosigma2tau[6] = 0.0e0; in func_pol()
3744 v4rhosigma2tau[7] = 0.0e0; in func_pol()
3747 v4rhosigma2tau[8] = 0.0e0; in func_pol()
3750 v4rhosigma2tau[9] = 0.0e0; in func_pol()
3753 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c3678 v4rhosigma2tau[1] = 0.0e0; in func_pol()
3681 v4rhosigma2tau[2] = 0.0e0; in func_pol()
3684 v4rhosigma2tau[3] = 0.0e0; in func_pol()
3687 v4rhosigma2tau[4] = 0.0e0; in func_pol()
3690 v4rhosigma2tau[5] = 0.0e0; in func_pol()
3693 v4rhosigma2tau[6] = 0.0e0; in func_pol()
3696 v4rhosigma2tau[7] = 0.0e0; in func_pol()
3699 v4rhosigma2tau[8] = 0.0e0; in func_pol()
3702 v4rhosigma2tau[9] = 0.0e0; in func_pol()
3705 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c3932 v4rhosigma2tau[1] = 0.0e0; in func_pol()
3935 v4rhosigma2tau[2] = 0.0e0; in func_pol()
3938 v4rhosigma2tau[3] = 0.0e0; in func_pol()
3941 v4rhosigma2tau[4] = 0.0e0; in func_pol()
3944 v4rhosigma2tau[5] = 0.0e0; in func_pol()
3947 v4rhosigma2tau[6] = 0.0e0; in func_pol()
3950 v4rhosigma2tau[7] = 0.0e0; in func_pol()
3953 v4rhosigma2tau[8] = 0.0e0; in func_pol()
3956 v4rhosigma2tau[9] = 0.0e0; in func_pol()
3959 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c397 v4rhosigma2tau[0] = 0.0e0; in func_unpol()
862 v4rhosigma2tau[0] = 0.0e0; in func_ferr()
3799 v4rhosigma2tau[0] = 0.0e0; in func_pol()
3802 v4rhosigma2tau[1] = 0.0e0; in func_pol()
3805 v4rhosigma2tau[2] = 0.0e0; in func_pol()
3808 v4rhosigma2tau[3] = 0.0e0; in func_pol()
3811 v4rhosigma2tau[4] = 0.0e0; in func_pol()
3814 v4rhosigma2tau[5] = 0.0e0; in func_pol()
3817 v4rhosigma2tau[6] = 0.0e0; in func_pol()
3820 v4rhosigma2tau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c3935 v4rhosigma2tau[1] = 0.0e0; in func_pol()
3938 v4rhosigma2tau[2] = 0.0e0; in func_pol()
3941 v4rhosigma2tau[3] = 0.0e0; in func_pol()
3944 v4rhosigma2tau[4] = 0.0e0; in func_pol()
3947 v4rhosigma2tau[5] = 0.0e0; in func_pol()
3950 v4rhosigma2tau[6] = 0.0e0; in func_pol()
3953 v4rhosigma2tau[7] = 0.0e0; in func_pol()
3956 v4rhosigma2tau[8] = 0.0e0; in func_pol()
3959 v4rhosigma2tau[9] = 0.0e0; in func_pol()
3962 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c5677 v4rhosigma2tau[1] = 0.0e0; in func_pol()
5680 v4rhosigma2tau[2] = 0.0e0; in func_pol()
5683 v4rhosigma2tau[3] = 0.0e0; in func_pol()
5686 v4rhosigma2tau[4] = 0.0e0; in func_pol()
5689 v4rhosigma2tau[5] = 0.0e0; in func_pol()
5692 v4rhosigma2tau[6] = 0.0e0; in func_pol()
5695 v4rhosigma2tau[7] = 0.0e0; in func_pol()
5698 v4rhosigma2tau[8] = 0.0e0; in func_pol()
5701 v4rhosigma2tau[9] = 0.0e0; in func_pol()
5704 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c5971 v4rhosigma2tau[1] = 0.0e0; in func_pol()
5974 v4rhosigma2tau[2] = 0.0e0; in func_pol()
5977 v4rhosigma2tau[3] = 0.0e0; in func_pol()
5980 v4rhosigma2tau[4] = 0.0e0; in func_pol()
5983 v4rhosigma2tau[5] = 0.0e0; in func_pol()
5986 v4rhosigma2tau[6] = 0.0e0; in func_pol()
5989 v4rhosigma2tau[7] = 0.0e0; in func_pol()
5992 v4rhosigma2tau[8] = 0.0e0; in func_pol()
5995 v4rhosigma2tau[9] = 0.0e0; in func_pol()
5998 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c5895 v4rhosigma2tau[1] = 0.0e0; in func_pol()
5898 v4rhosigma2tau[2] = 0.0e0; in func_pol()
5901 v4rhosigma2tau[3] = 0.0e0; in func_pol()
5904 v4rhosigma2tau[4] = 0.0e0; in func_pol()
5907 v4rhosigma2tau[5] = 0.0e0; in func_pol()
5910 v4rhosigma2tau[6] = 0.0e0; in func_pol()
5913 v4rhosigma2tau[7] = 0.0e0; in func_pol()
5916 v4rhosigma2tau[8] = 0.0e0; in func_pol()
5919 v4rhosigma2tau[9] = 0.0e0; in func_pol()
5922 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c6804 v4rhosigma2tau[1] = 0.0e0; in func_pol()
6807 v4rhosigma2tau[2] = 0.0e0; in func_pol()
6810 v4rhosigma2tau[3] = 0.0e0; in func_pol()
6813 v4rhosigma2tau[4] = 0.0e0; in func_pol()
6816 v4rhosigma2tau[5] = 0.0e0; in func_pol()
6819 v4rhosigma2tau[6] = 0.0e0; in func_pol()
6822 v4rhosigma2tau[7] = 0.0e0; in func_pol()
6825 v4rhosigma2tau[8] = 0.0e0; in func_pol()
6828 v4rhosigma2tau[9] = 0.0e0; in func_pol()
6831 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c6618 v4rhosigma2tau[1] = 0.0e0; in func_pol()
6621 v4rhosigma2tau[2] = 0.0e0; in func_pol()
6624 v4rhosigma2tau[3] = 0.0e0; in func_pol()
6627 v4rhosigma2tau[4] = 0.0e0; in func_pol()
6630 v4rhosigma2tau[5] = 0.0e0; in func_pol()
6633 v4rhosigma2tau[6] = 0.0e0; in func_pol()
6636 v4rhosigma2tau[7] = 0.0e0; in func_pol()
6639 v4rhosigma2tau[8] = 0.0e0; in func_pol()
6642 v4rhosigma2tau[9] = 0.0e0; in func_pol()
6645 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c6752 v4rhosigma2tau[1] = 0.0e0; in func_pol()
6755 v4rhosigma2tau[2] = 0.0e0; in func_pol()
6758 v4rhosigma2tau[3] = 0.0e0; in func_pol()
6761 v4rhosigma2tau[4] = 0.0e0; in func_pol()
6764 v4rhosigma2tau[5] = 0.0e0; in func_pol()
6767 v4rhosigma2tau[6] = 0.0e0; in func_pol()
6770 v4rhosigma2tau[7] = 0.0e0; in func_pol()
6773 v4rhosigma2tau[8] = 0.0e0; in func_pol()
6776 v4rhosigma2tau[9] = 0.0e0; in func_pol()
6779 v4rhosigma2tau[10] = 0.0e0; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c2931 v4rhosigma2tau[1] = 0.0e0; in func_pol()
2934 v4rhosigma2tau[2] = 0.0e0; in func_pol()
2937 v4rhosigma2tau[3] = 0.0e0; in func_pol()
2940 v4rhosigma2tau[4] = 0.0e0; in func_pol()
2943 v4rhosigma2tau[5] = 0.0e0; in func_pol()
2946 v4rhosigma2tau[6] = 0.0e0; in func_pol()
2949 v4rhosigma2tau[7] = 0.0e0; in func_pol()
2952 v4rhosigma2tau[8] = 0.0e0; in func_pol()
2955 v4rhosigma2tau[9] = 0.0e0; in func_pol()
2958 v4rhosigma2tau[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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