| /dports/science/libxc/libxc-5.0.0/src/ |
| H A D | util.c | 285 dim->v4sigmalapltau2 = dim->v4sigmatau3 = dim->v4lapl4 = dim->v4lapl3tau = 1; in internal_counters_set_mgga()
342 dim->v4lapl3tau = 4*2; in internal_counters_set_mgga()
589 *v4lapl3tau += pos*dim->v4lapl3tau + offset; in internal_counters_mgga_random()
683 *v4lapl3tau += dim->v4lapl3tau + offset; in internal_counters_mgga_next()
777 *v4lapl3tau -= dim->v4lapl3tau + offset; in internal_counters_mgga_prev()
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| H A D | mgga.c | 176 assert(v4lapl3tau != NULL); in xc_mgga()
215 libxc_memset(v4lapl3tau, 0, dim->v4lapl3tau *np*sizeof(double)); in xc_mgga()
418 double *v4sigmalapltau2, double *v4sigmatau3, double *v4lapl4, double *v4lapl3tau, in xc_mgga_lxc() argument
432 v4sigmalapltau2, v4sigmatau3, v4lapl4, v4lapl3tau, in xc_mgga_lxc()
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| H A D | libxc_master.F90 | 622 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
643 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local
770 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
783 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local
1324 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument
1344 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local
1359 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
1522 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument
1534 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local
1543 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
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| H A D | xc.h | 110 P_ v4sigmalapltau2, P_ v4sigmatau3, P_ v4lapl4, P_ v4lapl3tau, \
366 double *v4sigmalapltau2, double *v4sigmatau3, double *v4lapl4, double *v4lapl3tau,
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| H A D | mix_func.c | 270 v4lapl3tau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4lapl3tau); in xc_mix_func()
419 sum_var(v4lapl3tau); in xc_mix_func()
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| /dports/science/elk/elk-7.2.42/src/ |
| H A D | libxcf90.f90 | 1217 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
1238 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local
1365 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
1378 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local
1971 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument
1991 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local
2006 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
2169 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument
2181 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local
2190 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_xc_lp90.c | 303 v4lapl3tau[0] = 0.0e0; in func_unpol()
618 v4lapl3tau[0] = 0.0e0; in func_ferr()
3237 v4lapl3tau[0] = 0.0e0; in func_pol()
3240 v4lapl3tau[1] = 0.0e0; in func_pol()
3243 v4lapl3tau[2] = 0.0e0; in func_pol()
3246 v4lapl3tau[3] = 0.0e0; in func_pol()
3249 v4lapl3tau[4] = 0.0e0; in func_pol()
3252 v4lapl3tau[5] = 0.0e0; in func_pol()
3255 v4lapl3tau[6] = 0.0e0; in func_pol()
3258 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_xc_zlp.c | 334 v4lapl3tau[0] = 0.0e0; in func_unpol()
680 v4lapl3tau[0] = 0.0e0; in func_ferr()
3341 v4lapl3tau[0] = 0.0e0; in func_pol()
3344 v4lapl3tau[1] = 0.0e0; in func_pol()
3347 v4lapl3tau[2] = 0.0e0; in func_pol()
3350 v4lapl3tau[3] = 0.0e0; in func_pol()
3353 v4lapl3tau[4] = 0.0e0; in func_pol()
3356 v4lapl3tau[5] = 0.0e0; in func_pol()
3359 v4lapl3tau[6] = 0.0e0; in func_pol()
3362 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_gdme.c | 320 v4lapl3tau[0] = 0.0e0; in func_unpol()
649 v4lapl3tau[0] = 0.0e0; in func_ferr()
3656 v4lapl3tau[0] = 0.0e0; in func_pol()
3659 v4lapl3tau[1] = 0.0e0; in func_pol()
3662 v4lapl3tau[2] = 0.0e0; in func_pol()
3665 v4lapl3tau[3] = 0.0e0; in func_pol()
3668 v4lapl3tau[4] = 0.0e0; in func_pol()
3671 v4lapl3tau[5] = 0.0e0; in func_pol()
3674 v4lapl3tau[6] = 0.0e0; in func_pol()
3677 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_lta.c | 325 v4lapl3tau[0] = 0.0e0; in func_unpol()
654 v4lapl3tau[0] = 0.0e0; in func_ferr()
3676 v4lapl3tau[0] = 0.0e0; in func_pol()
3679 v4lapl3tau[1] = 0.0e0; in func_pol()
3682 v4lapl3tau[2] = 0.0e0; in func_pol()
3685 v4lapl3tau[3] = 0.0e0; in func_pol()
3688 v4lapl3tau[4] = 0.0e0; in func_pol()
3691 v4lapl3tau[5] = 0.0e0; in func_pol()
3694 v4lapl3tau[6] = 0.0e0; in func_pol()
3697 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_rlda.c | 421 v4lapl3tau[0] = -0.3e1 / 0.16e2 * t40 * t41 * t512; in func_unpol()
849 v4lapl3tau[0] = -0.3e1 / 0.8e1 * t34 * t35 * t494; in func_ferr()
3989 v4lapl3tau[0] = -0.3e1 / 0.8e1 * t145 * t146 * t3409; in func_pol()
3992 v4lapl3tau[1] = 0.0e0; in func_pol()
3995 v4lapl3tau[2] = 0.0e0; in func_pol()
3998 v4lapl3tau[3] = 0.0e0; in func_pol()
4001 v4lapl3tau[4] = 0.0e0; in func_pol()
4004 v4lapl3tau[5] = 0.0e0; in func_pol()
4007 v4lapl3tau[6] = 0.0e0; in func_pol()
4011 v4lapl3tau[7] = -0.3e1 / 0.8e1 * t145 * t155 * t3414; in func_pol()
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| H A D | mgga_c_cs.c | 348 v4lapl3tau[0] = 0.0e0; in func_unpol()
602 v4lapl3tau[0] = 0.0e0; in func_ferr()
4274 v4lapl3tau[0] = 0.0e0; in func_pol()
4277 v4lapl3tau[1] = 0.0e0; in func_pol()
4280 v4lapl3tau[2] = 0.0e0; in func_pol()
4283 v4lapl3tau[3] = 0.0e0; in func_pol()
4286 v4lapl3tau[4] = 0.0e0; in func_pol()
4289 v4lapl3tau[5] = 0.0e0; in func_pol()
4292 v4lapl3tau[6] = 0.0e0; in func_pol()
4295 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_2d_js17.c | 413 v4lapl3tau[0] = 0.0e0; in func_unpol()
827 v4lapl3tau[0] = 0.0e0; in func_ferr()
4057 v4lapl3tau[0] = 0.0e0; in func_pol()
4060 v4lapl3tau[1] = 0.0e0; in func_pol()
4063 v4lapl3tau[2] = 0.0e0; in func_pol()
4066 v4lapl3tau[3] = 0.0e0; in func_pol()
4069 v4lapl3tau[4] = 0.0e0; in func_pol()
4072 v4lapl3tau[5] = 0.0e0; in func_pol()
4075 v4lapl3tau[6] = 0.0e0; in func_pol()
4078 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_gvt4.c | 603 v4lapl3tau[0] = 0.0e0; in func_unpol()
1193 v4lapl3tau[0] = 0.0e0; in func_ferr()
4658 v4lapl3tau[0] = 0.0e0; in func_pol()
4661 v4lapl3tau[1] = 0.0e0; in func_pol()
4664 v4lapl3tau[2] = 0.0e0; in func_pol()
4667 v4lapl3tau[3] = 0.0e0; in func_pol()
4670 v4lapl3tau[4] = 0.0e0; in func_pol()
4673 v4lapl3tau[5] = 0.0e0; in func_pol()
4676 v4lapl3tau[6] = 0.0e0; in func_pol()
4679 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_pkzb.c | 494 v4lapl3tau[0] = 0.0e0; in func_unpol()
983 v4lapl3tau[0] = 0.0e0; in func_ferr()
4615 v4lapl3tau[0] = 0.0e0; in func_pol()
4618 v4lapl3tau[1] = 0.0e0; in func_pol()
4621 v4lapl3tau[2] = 0.0e0; in func_pol()
4624 v4lapl3tau[3] = 0.0e0; in func_pol()
4627 v4lapl3tau[4] = 0.0e0; in func_pol()
4630 v4lapl3tau[5] = 0.0e0; in func_pol()
4633 v4lapl3tau[6] = 0.0e0; in func_pol()
4636 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | hyb_mgga_x_dldf.c | 517 v4lapl3tau[0] = 0.0e0; in func_unpol()
1009 v4lapl3tau[0] = 0.0e0; in func_ferr()
4853 v4lapl3tau[0] = 0.0e0; in func_pol()
4856 v4lapl3tau[1] = 0.0e0; in func_pol()
4859 v4lapl3tau[2] = 0.0e0; in func_pol()
4862 v4lapl3tau[3] = 0.0e0; in func_pol()
4865 v4lapl3tau[4] = 0.0e0; in func_pol()
4868 v4lapl3tau[5] = 0.0e0; in func_pol()
4871 v4lapl3tau[6] = 0.0e0; in func_pol()
4874 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_xc_cc06.c | 456 v4lapl3tau[0] = 0.0e0; in func_unpol()
921 v4lapl3tau[0] = 0.0e0; in func_ferr()
4745 v4lapl3tau[0] = 0.0e0; in func_pol()
4748 v4lapl3tau[1] = 0.0e0; in func_pol()
4751 v4lapl3tau[2] = 0.0e0; in func_pol()
4754 v4lapl3tau[3] = 0.0e0; in func_pol()
4757 v4lapl3tau[4] = 0.0e0; in func_pol()
4760 v4lapl3tau[5] = 0.0e0; in func_pol()
4763 v4lapl3tau[6] = 0.0e0; in func_pol()
4766 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_tau_hcth.c | 630 v4lapl3tau[0] = 0.0e0; in func_unpol()
1256 v4lapl3tau[0] = 0.0e0; in func_ferr()
4858 v4lapl3tau[0] = 0.0e0; in func_pol()
4861 v4lapl3tau[1] = 0.0e0; in func_pol()
4864 v4lapl3tau[2] = 0.0e0; in func_pol()
4867 v4lapl3tau[3] = 0.0e0; in func_pol()
4870 v4lapl3tau[4] = 0.0e0; in func_pol()
4873 v4lapl3tau[5] = 0.0e0; in func_pol()
4876 v4lapl3tau[6] = 0.0e0; in func_pol()
4879 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_gx.c | 1183 v4lapl3tau[0] = 0.0e0; in func_unpol()
2240 v4lapl3tau[0] = 0.0e0; in func_ferr()
6644 v4lapl3tau[0] = 0.0e0; in func_pol()
6647 v4lapl3tau[1] = 0.0e0; in func_pol()
6650 v4lapl3tau[2] = 0.0e0; in func_pol()
6653 v4lapl3tau[3] = 0.0e0; in func_pol()
6656 v4lapl3tau[4] = 0.0e0; in func_pol()
6659 v4lapl3tau[5] = 0.0e0; in func_pol()
6662 v4lapl3tau[6] = 0.0e0; in func_pol()
6665 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | hyb_mgga_x_m05.c | 990 v4lapl3tau[0] = 0.0e0; in func_unpol()
2032 v4lapl3tau[0] = 0.0e0; in func_ferr()
6927 v4lapl3tau[0] = 0.0e0; in func_pol()
6930 v4lapl3tau[1] = 0.0e0; in func_pol()
6933 v4lapl3tau[2] = 0.0e0; in func_pol()
6936 v4lapl3tau[3] = 0.0e0; in func_pol()
6939 v4lapl3tau[4] = 0.0e0; in func_pol()
6942 v4lapl3tau[5] = 0.0e0; in func_pol()
6945 v4lapl3tau[6] = 0.0e0; in func_pol()
6948 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_mvs.c | 910 v4lapl3tau[0] = 0.0e0; in func_unpol()
1782 v4lapl3tau[0] = 0.0e0; in func_ferr()
6886 v4lapl3tau[0] = 0.0e0; in func_pol()
6889 v4lapl3tau[1] = 0.0e0; in func_pol()
6892 v4lapl3tau[2] = 0.0e0; in func_pol()
6895 v4lapl3tau[3] = 0.0e0; in func_pol()
6898 v4lapl3tau[4] = 0.0e0; in func_pol()
6901 v4lapl3tau[5] = 0.0e0; in func_pol()
6904 v4lapl3tau[6] = 0.0e0; in func_pol()
6907 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_pbe_gx.c | 1234 v4lapl3tau[0] = 0.0e0; in func_unpol()
2344 v4lapl3tau[0] = 0.0e0; in func_ferr()
7777 v4lapl3tau[0] = 0.0e0; in func_pol()
7780 v4lapl3tau[1] = 0.0e0; in func_pol()
7783 v4lapl3tau[2] = 0.0e0; in func_pol()
7786 v4lapl3tau[3] = 0.0e0; in func_pol()
7789 v4lapl3tau[4] = 0.0e0; in func_pol()
7792 v4lapl3tau[5] = 0.0e0; in func_pol()
7795 v4lapl3tau[6] = 0.0e0; in func_pol()
7798 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_m06l.c | 1301 v4lapl3tau[0] = 0.0e0; in func_unpol()
2637 v4lapl3tau[0] = 0.0e0; in func_ferr()
7586 v4lapl3tau[0] = 0.0e0; in func_pol()
7589 v4lapl3tau[1] = 0.0e0; in func_pol()
7592 v4lapl3tau[2] = 0.0e0; in func_pol()
7595 v4lapl3tau[3] = 0.0e0; in func_pol()
7598 v4lapl3tau[4] = 0.0e0; in func_pol()
7601 v4lapl3tau[5] = 0.0e0; in func_pol()
7604 v4lapl3tau[6] = 0.0e0; in func_pol()
7607 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_mvsb.c | 1104 v4lapl3tau[0] = 0.0e0; in func_unpol()
2192 v4lapl3tau[0] = 0.0e0; in func_ferr()
7742 v4lapl3tau[0] = 0.0e0; in func_pol()
7745 v4lapl3tau[1] = 0.0e0; in func_pol()
7748 v4lapl3tau[2] = 0.0e0; in func_pol()
7751 v4lapl3tau[3] = 0.0e0; in func_pol()
7754 v4lapl3tau[4] = 0.0e0; in func_pol()
7757 v4lapl3tau[5] = 0.0e0; in func_pol()
7760 v4lapl3tau[6] = 0.0e0; in func_pol()
7763 v4lapl3tau[7] = 0.0e0; in func_pol()
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| H A D | mgga_x_ms.c | 1349 v4lapl3tau[0] = 0.0e0; in func_unpol()
2633 v4lapl3tau[0] = 0.0e0; in func_ferr()
7518 v4lapl3tau[0] = 0.0e0; in func_pol()
7521 v4lapl3tau[1] = 0.0e0; in func_pol()
7524 v4lapl3tau[2] = 0.0e0; in func_pol()
7527 v4lapl3tau[3] = 0.0e0; in func_pol()
7530 v4lapl3tau[4] = 0.0e0; in func_pol()
7533 v4lapl3tau[5] = 0.0e0; in func_pol()
7536 v4lapl3tau[6] = 0.0e0; in func_pol()
7539 v4lapl3tau[7] = 0.0e0; in func_pol()
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