| /dports/science/libxc/libxc-5.0.0/src/ |
| H A D | util.c | 281 dim->v4rhosigmalapl2 = dim->v4rhosigmalapltau = dim->v4rhosigmatau2 = 1; in internal_counters_set_mgga()
326 dim->v4rhosigmalapltau = 2*3*2*2; in internal_counters_set_mgga()
578 *v4rhosigmalapltau += pos*dim->v4rhosigmalapltau + offset; in internal_counters_mgga_random()
672 *v4rhosigmalapltau += dim->v4rhosigmalapltau + offset; in internal_counters_mgga_next()
766 *v4rhosigmalapltau -= dim->v4rhosigmalapltau + offset; in internal_counters_mgga_prev()
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| H A D | mgga.c | 165 assert(v4rhosigmalapltau != NULL); in xc_mgga()
204 libxc_memset(v4rhosigmalapltau, 0, dim->v4rhosigmalapltau*np*sizeof(double)); in xc_mgga()
414 double *v4rhosigmalapl2, double *v4rhosigmalapltau, double *v4rhosigmatau2, in xc_mgga_lxc() argument
428 v4rhosigmalapl2, v4rhosigmalapltau, v4rhosigmatau2, 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 | 106 P_ v4rhosigmalapl2, P_ v4rhosigmalapltau, P_ v4rhosigmatau2, \
362 double *v4rhosigmalapl2, double *v4rhosigmalapltau, double *v4rhosigmatau2,
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| H A D | mix_func.c | 254 v4rhosigmalapltau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rhosigmalapltau); in xc_mix_func()
408 sum_var(v4rhosigmalapltau); 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 | 252 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
567 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
2451 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
2454 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
2457 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
2460 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
2463 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
2466 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
2469 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
2472 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_xc_zlp.c | 283 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
629 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
2555 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
2558 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
2561 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
2564 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
2567 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
2570 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
2573 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
2576 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_gdme.c | 269 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
598 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
2870 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
2873 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
2876 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
2879 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
2882 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
2885 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
2888 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
2891 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_lta.c | 274 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
603 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
2884 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
2887 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
2890 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
2893 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
2896 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
2899 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
2902 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
2905 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_rlda.c | 360 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
788 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
3176 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
3179 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
3182 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
3185 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
3188 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
3191 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
3194 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
3197 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_c_cs.c | 297 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
551 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
3488 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
3491 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
3494 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
3497 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
3500 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
3503 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
3506 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
3509 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_2d_js17.c | 360 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
774 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
3267 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
3270 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
3273 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
3276 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
3279 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
3282 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
3285 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
3288 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_gvt4.c | 540 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
1134 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
3852 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
3855 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
3858 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
3861 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
3864 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
3867 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
3870 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
3873 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_pkzb.c | 437 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
926 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
3809 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
3812 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
3815 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
3818 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
3821 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
3824 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
3827 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
3830 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | hyb_mgga_x_dldf.c | 464 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
956 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
4057 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
4060 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
4063 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
4066 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
4069 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
4072 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
4075 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
4078 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_xc_cc06.c | 403 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
868 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
3925 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
3928 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
3931 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
3934 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
3937 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
3940 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
3943 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
3946 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_tau_hcth.c | 574 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
1201 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
4060 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
4063 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
4066 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
4069 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
4072 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
4075 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
4078 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
4081 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_gx.c | 1080 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
2166 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
5808 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
5811 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
5814 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
5817 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
5820 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
5823 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
5826 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
5829 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | hyb_mgga_x_m05.c | 929 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
1962 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
6096 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
6099 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
6102 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
6105 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
6108 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
6111 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
6114 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
6117 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_mvs.c | 824 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
1702 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
6034 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
6037 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
6040 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
6043 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
6046 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
6049 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
6052 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
6055 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_pbe_gx.c | 1141 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
2278 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
6939 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
6942 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
6945 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
6948 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
6951 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
6954 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
6957 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
6960 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_m06l.c | 1229 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
2560 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
6745 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
6748 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
6751 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
6754 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
6757 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
6760 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
6763 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
6766 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_mvsb.c | 1021 v4rhosigmalapltau[0] = 0.0e0; in func_unpol()
2111 v4rhosigmalapltau[0] = 0.0e0; in func_ferr()
6886 v4rhosigmalapltau[0] = 0.0e0; in func_pol()
6889 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
6892 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
6895 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
6898 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
6901 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
6904 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
6907 v4rhosigmalapltau[7] = 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 | 3150 v4rhosigmalapltau[1] = 0.0e0; in func_pol()
3153 v4rhosigmalapltau[2] = 0.0e0; in func_pol()
3156 v4rhosigmalapltau[3] = 0.0e0; in func_pol()
3159 v4rhosigmalapltau[4] = 0.0e0; in func_pol()
3162 v4rhosigmalapltau[5] = 0.0e0; in func_pol()
3165 v4rhosigmalapltau[6] = 0.0e0; in func_pol()
3168 v4rhosigmalapltau[7] = 0.0e0; in func_pol()
3171 v4rhosigmalapltau[8] = 0.0e0; in func_pol()
3174 v4rhosigmalapltau[9] = 0.0e0; in func_pol()
3177 v4rhosigmalapltau[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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