| /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()
325 dim->v4rhosigmalapl2 = 2*3*3; in internal_counters_set_mgga()
577 *v4rhosigmalapl2 += pos*dim->v4rhosigmalapl2 + offset; in internal_counters_mgga_random()
671 *v4rhosigmalapl2 += dim->v4rhosigmalapl2 + offset; in internal_counters_mgga_next()
765 *v4rhosigmalapl2 -= dim->v4rhosigmalapl2 + offset; in internal_counters_mgga_prev()
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| H A D | mgga.c | 164 assert(v4rhosigmalapl2 != NULL); in xc_mgga()
203 libxc_memset(v4rhosigmalapl2, 0, dim->v4rhosigmalapl2 *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 | 253 v4rhosigmalapl2_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rhosigmalapl2); in xc_mix_func()
407 sum_var(v4rhosigmalapl2); 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 | 249 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
564 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
2397 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
2400 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
2403 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
2406 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
2409 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
2412 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
2415 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
2418 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
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| H A D | mgga_xc_zlp.c | 280 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
626 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
2501 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
2504 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
2507 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
2510 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
2513 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
2516 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
2519 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
2522 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_gdme.c | 266 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
595 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
2816 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
2819 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
2822 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
2825 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
2828 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
2831 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
2834 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
2837 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_lta.c | 271 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
600 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
2830 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
2833 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
2836 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
2839 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
2842 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
2845 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
2848 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
2851 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_rlda.c | 357 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
785 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
3122 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
3125 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
3128 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
3131 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
3134 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
3137 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
3140 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
3143 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_c_cs.c | 294 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
548 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
3434 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
3437 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
3440 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
3443 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
3446 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
3449 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
3452 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
3455 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_2d_js17.c | 357 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
771 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
3213 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
3216 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
3219 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
3222 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
3225 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
3228 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
3231 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
3234 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_gvt4.c | 537 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
1131 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
3798 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
3801 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
3804 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
3807 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
3810 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
3813 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
3816 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
3819 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_pkzb.c | 434 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
923 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
3755 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
3758 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
3761 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
3764 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
3767 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
3770 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
3773 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
3776 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | hyb_mgga_x_dldf.c | 461 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
953 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
4003 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
4006 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
4009 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
4012 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
4015 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
4018 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
4021 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
4024 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_xc_cc06.c | 400 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
865 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
3871 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
3874 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
3877 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
3880 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
3883 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
3886 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
3889 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
3892 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_tau_hcth.c | 571 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
1198 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
4006 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
4009 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
4012 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
4015 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
4018 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
4021 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
4024 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
4027 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_gx.c | 1077 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
2163 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
5754 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
5757 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
5760 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
5763 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
5766 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
5769 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
5772 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
5775 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | hyb_mgga_x_m05.c | 926 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
1959 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
6042 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
6045 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
6048 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
6051 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
6054 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
6057 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
6060 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
6063 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_mvs.c | 821 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
1699 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
5980 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
5983 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
5986 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
5989 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
5992 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
5995 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
5998 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
6001 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
[all …]
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| H A D | mgga_x_pbe_gx.c | 1138 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
2275 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
6885 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
6888 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
6891 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
6894 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
6897 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
6900 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
6903 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
6906 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_m06l.c | 1226 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
2557 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
6691 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
6694 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
6697 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
6700 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
6703 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
6706 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
6709 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
6712 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_mvsb.c | 1018 v4rhosigmalapl2[0] = 0.0e0; in func_unpol()
2108 v4rhosigmalapl2[0] = 0.0e0; in func_ferr()
6832 v4rhosigmalapl2[0] = 0.0e0; in func_pol()
6835 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
6838 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
6841 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
6844 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
6847 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
6850 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
6853 v4rhosigmalapl2[7] = 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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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/ |
| H A D | mgga_x_2d_prp10.c | 3084 v4rhosigmalapl2[1] = 0.0e0; in func_pol()
3087 v4rhosigmalapl2[2] = 0.0e0; in func_pol()
3090 v4rhosigmalapl2[3] = 0.0e0; in func_pol()
3093 v4rhosigmalapl2[4] = 0.0e0; in func_pol()
3096 v4rhosigmalapl2[5] = 0.0e0; in func_pol()
3099 v4rhosigmalapl2[6] = 0.0e0; in func_pol()
3102 v4rhosigmalapl2[7] = 0.0e0; in func_pol()
3105 v4rhosigmalapl2[8] = 0.0e0; in func_pol()
3108 v4rhosigmalapl2[9] = 0.0e0; in func_pol()
3111 v4rhosigmalapl2[10] = 0.0e0; in func_pol()
[all …]
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