/dports/science/libxc/libxc-5.0.0/src/ |
H A D | util.c | 280 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()
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H A D | mgga.c | 149 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()
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H A D | libxc_master.F90 | 618 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, &
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H A D | xc.h | 105 P_ v4rho2tau2, P_ v4rhosigma3, P_ v4rhosigma2lapl, P_ v4rhosigma2tau, \ 361 double *v4rho2tau2, double *v4rhosigma3, double *v4rhosigma2lapl, double *v4rhosigma2tau,
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H A D | mix_func.c | 252 v4rhosigma2tau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rhosigma2tau); in xc_mix_func() 426 sum_var(v4rhosigma2tau); in xc_mix_func()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_xc_lp90.c | 246 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 …]
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H A D | mgga_xc_zlp.c | 277 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 …]
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H A D | mgga_x_gdme.c | 263 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 …]
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H A D | mgga_x_lta.c | 268 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 …]
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H A D | mgga_x_rlda.c | 354 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 …]
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H A D | mgga_c_cs.c | 291 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 …]
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H A D | mgga_x_2d_js17.c | 3140 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 …]
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H A D | mgga_x_gvt4.c | 3726 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 …]
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H A D | mgga_x_pkzb.c | 3678 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 …]
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H A D | hyb_mgga_x_dldf.c | 3932 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 …]
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H A D | mgga_xc_cc06.c | 397 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 …]
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H A D | mgga_x_tau_hcth.c | 3935 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 …]
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H A D | mgga_x_gx.c | 5677 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 …]
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H A D | hyb_mgga_x_m05.c | 5971 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 …]
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H A D | mgga_x_mvs.c | 5895 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 …]
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H A D | mgga_x_pbe_gx.c | 6804 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 …]
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H A D | mgga_x_m06l.c | 6618 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 …]
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H A D | mgga_x_mvsb.c | 6752 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 …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
H A D | mgga_x_2d_prp10.c | 2931 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 …]
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/dports/science/elk/elk-7.2.42/src/ |
H A D | libxcf90.f90 | 1213 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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