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Searched refs:v4sigmalapltau2 (Results 1 – 25 of 71) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c285 dim->v4sigmalapltau2 = dim->v4sigmatau3 = dim->v4lapl4 = dim->v4lapl3tau = 1; in internal_counters_set_mgga()
339 dim->v4sigmalapltau2 = 3*2*3; in internal_counters_set_mgga()
587 *v4sigmalapltau2 += pos*dim->v4sigmalapltau2 + offset; in internal_counters_mgga_random()
681 *v4sigmalapltau2 += dim->v4sigmalapltau2 + offset; in internal_counters_mgga_next()
775 *v4sigmalapltau2 -= dim->v4sigmalapltau2 + offset; in internal_counters_mgga_prev()
H A Dmgga.c174 assert(v4sigmalapltau2 != NULL); in xc_mgga()
213 libxc_memset(v4sigmalapltau2, 0, dim->v4sigmalapltau2 *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()
H A Dlibxc_master.F90621 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
642 … v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
769 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
782 … v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
1323 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, & argument
1343 … v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
1358 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
1521 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, & argument
1533 … v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
1542 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
H A Dxc.h110 P_ v4sigmalapltau2, P_ v4sigmatau3, P_ v4lapl4, P_ v4lapl3tau, \
366 double *v4sigmalapltau2, double *v4sigmatau3, double *v4lapl4, double *v4lapl3tau,
H A Dmix_func.c267 v4sigmalapltau2_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4sigmalapltau2); in xc_mix_func()
417 sum_var(v4sigmalapltau2); in xc_mix_func()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c294 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
609 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
3132 v4sigmalapltau2[0] = 0.0e0; in func_pol()
3135 v4sigmalapltau2[1] = 0.0e0; in func_pol()
3138 v4sigmalapltau2[2] = 0.0e0; in func_pol()
3141 v4sigmalapltau2[3] = 0.0e0; in func_pol()
3144 v4sigmalapltau2[4] = 0.0e0; in func_pol()
3147 v4sigmalapltau2[5] = 0.0e0; in func_pol()
3150 v4sigmalapltau2[6] = 0.0e0; in func_pol()
3153 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c325 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
671 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
3236 v4sigmalapltau2[0] = 0.0e0; in func_pol()
3239 v4sigmalapltau2[1] = 0.0e0; in func_pol()
3242 v4sigmalapltau2[2] = 0.0e0; in func_pol()
3245 v4sigmalapltau2[3] = 0.0e0; in func_pol()
3248 v4sigmalapltau2[4] = 0.0e0; in func_pol()
3251 v4sigmalapltau2[5] = 0.0e0; in func_pol()
3254 v4sigmalapltau2[6] = 0.0e0; in func_pol()
3257 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c311 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
640 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
3551 v4sigmalapltau2[0] = 0.0e0; in func_pol()
3554 v4sigmalapltau2[1] = 0.0e0; in func_pol()
3557 v4sigmalapltau2[2] = 0.0e0; in func_pol()
3560 v4sigmalapltau2[3] = 0.0e0; in func_pol()
3563 v4sigmalapltau2[4] = 0.0e0; in func_pol()
3566 v4sigmalapltau2[5] = 0.0e0; in func_pol()
3569 v4sigmalapltau2[6] = 0.0e0; in func_pol()
3572 v4sigmalapltau2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_lta.c316 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
645 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
3571 v4sigmalapltau2[0] = 0.0e0; in func_pol()
3574 v4sigmalapltau2[1] = 0.0e0; in func_pol()
3577 v4sigmalapltau2[2] = 0.0e0; in func_pol()
3580 v4sigmalapltau2[3] = 0.0e0; in func_pol()
3583 v4sigmalapltau2[4] = 0.0e0; in func_pol()
3586 v4sigmalapltau2[5] = 0.0e0; in func_pol()
3589 v4sigmalapltau2[6] = 0.0e0; in func_pol()
3592 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c409 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
837 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
3879 v4sigmalapltau2[0] = 0.0e0; in func_pol()
3882 v4sigmalapltau2[1] = 0.0e0; in func_pol()
3885 v4sigmalapltau2[2] = 0.0e0; in func_pol()
3888 v4sigmalapltau2[3] = 0.0e0; in func_pol()
3891 v4sigmalapltau2[4] = 0.0e0; in func_pol()
3894 v4sigmalapltau2[5] = 0.0e0; in func_pol()
3897 v4sigmalapltau2[6] = 0.0e0; in func_pol()
3900 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c339 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
593 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
4169 v4sigmalapltau2[0] = 0.0e0; in func_pol()
4172 v4sigmalapltau2[1] = 0.0e0; in func_pol()
4175 v4sigmalapltau2[2] = 0.0e0; in func_pol()
4178 v4sigmalapltau2[3] = 0.0e0; in func_pol()
4181 v4sigmalapltau2[4] = 0.0e0; in func_pol()
4184 v4sigmalapltau2[5] = 0.0e0; in func_pol()
4187 v4sigmalapltau2[6] = 0.0e0; in func_pol()
4190 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c404 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
818 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
3952 v4sigmalapltau2[0] = 0.0e0; in func_pol()
3955 v4sigmalapltau2[1] = 0.0e0; in func_pol()
3958 v4sigmalapltau2[2] = 0.0e0; in func_pol()
3961 v4sigmalapltau2[3] = 0.0e0; in func_pol()
3964 v4sigmalapltau2[4] = 0.0e0; in func_pol()
3967 v4sigmalapltau2[5] = 0.0e0; in func_pol()
3970 v4sigmalapltau2[6] = 0.0e0; in func_pol()
3973 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c592 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
1183 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
4551 v4sigmalapltau2[0] = 0.0e0; in func_pol()
4554 v4sigmalapltau2[1] = 0.0e0; in func_pol()
4557 v4sigmalapltau2[2] = 0.0e0; in func_pol()
4560 v4sigmalapltau2[3] = 0.0e0; in func_pol()
4563 v4sigmalapltau2[4] = 0.0e0; in func_pol()
4566 v4sigmalapltau2[5] = 0.0e0; in func_pol()
4569 v4sigmalapltau2[6] = 0.0e0; in func_pol()
4572 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c485 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
974 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
4510 v4sigmalapltau2[0] = 0.0e0; in func_pol()
4513 v4sigmalapltau2[1] = 0.0e0; in func_pol()
4516 v4sigmalapltau2[2] = 0.0e0; in func_pol()
4519 v4sigmalapltau2[3] = 0.0e0; in func_pol()
4522 v4sigmalapltau2[4] = 0.0e0; in func_pol()
4525 v4sigmalapltau2[5] = 0.0e0; in func_pol()
4528 v4sigmalapltau2[6] = 0.0e0; in func_pol()
4531 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c508 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
1000 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
4748 v4sigmalapltau2[0] = 0.0e0; in func_pol()
4751 v4sigmalapltau2[1] = 0.0e0; in func_pol()
4754 v4sigmalapltau2[2] = 0.0e0; in func_pol()
4757 v4sigmalapltau2[3] = 0.0e0; in func_pol()
4760 v4sigmalapltau2[4] = 0.0e0; in func_pol()
4763 v4sigmalapltau2[5] = 0.0e0; in func_pol()
4766 v4sigmalapltau2[6] = 0.0e0; in func_pol()
4769 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c446 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
911 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
4636 v4sigmalapltau2[0] = 0.0e0; in func_pol()
4639 v4sigmalapltau2[1] = 0.0e0; in func_pol()
4642 v4sigmalapltau2[2] = 0.0e0; in func_pol()
4645 v4sigmalapltau2[3] = 0.0e0; in func_pol()
4648 v4sigmalapltau2[4] = 0.0e0; in func_pol()
4651 v4sigmalapltau2[5] = 0.0e0; in func_pol()
4654 v4sigmalapltau2[6] = 0.0e0; in func_pol()
4657 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c621 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
1247 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
4753 v4sigmalapltau2[0] = 0.0e0; in func_pol()
4756 v4sigmalapltau2[1] = 0.0e0; in func_pol()
4759 v4sigmalapltau2[2] = 0.0e0; in func_pol()
4762 v4sigmalapltau2[3] = 0.0e0; in func_pol()
4765 v4sigmalapltau2[4] = 0.0e0; in func_pol()
4768 v4sigmalapltau2[5] = 0.0e0; in func_pol()
4771 v4sigmalapltau2[6] = 0.0e0; in func_pol()
4774 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c1168 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
2228 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
6533 v4sigmalapltau2[0] = 0.0e0; in func_pol()
6536 v4sigmalapltau2[1] = 0.0e0; in func_pol()
6539 v4sigmalapltau2[2] = 0.0e0; in func_pol()
6542 v4sigmalapltau2[3] = 0.0e0; in func_pol()
6545 v4sigmalapltau2[4] = 0.0e0; in func_pol()
6548 v4sigmalapltau2[5] = 0.0e0; in func_pol()
6551 v4sigmalapltau2[6] = 0.0e0; in func_pol()
6554 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c981 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
2023 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
6822 v4sigmalapltau2[0] = 0.0e0; in func_pol()
6825 v4sigmalapltau2[1] = 0.0e0; in func_pol()
6828 v4sigmalapltau2[2] = 0.0e0; in func_pol()
6831 v4sigmalapltau2[3] = 0.0e0; in func_pol()
6834 v4sigmalapltau2[4] = 0.0e0; in func_pol()
6837 v4sigmalapltau2[5] = 0.0e0; in func_pol()
6840 v4sigmalapltau2[6] = 0.0e0; in func_pol()
6843 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c897 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
1771 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
6777 v4sigmalapltau2[0] = 0.0e0; in func_pol()
6780 v4sigmalapltau2[1] = 0.0e0; in func_pol()
6783 v4sigmalapltau2[2] = 0.0e0; in func_pol()
6786 v4sigmalapltau2[3] = 0.0e0; in func_pol()
6789 v4sigmalapltau2[4] = 0.0e0; in func_pol()
6792 v4sigmalapltau2[5] = 0.0e0; in func_pol()
6795 v4sigmalapltau2[6] = 0.0e0; in func_pol()
6798 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c1221 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
2334 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
7668 v4sigmalapltau2[0] = 0.0e0; in func_pol()
7671 v4sigmalapltau2[1] = 0.0e0; in func_pol()
7674 v4sigmalapltau2[2] = 0.0e0; in func_pol()
7677 v4sigmalapltau2[3] = 0.0e0; in func_pol()
7680 v4sigmalapltau2[4] = 0.0e0; in func_pol()
7683 v4sigmalapltau2[5] = 0.0e0; in func_pol()
7686 v4sigmalapltau2[6] = 0.0e0; in func_pol()
7689 v4sigmalapltau2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c1291 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
2628 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
7481 v4sigmalapltau2[0] = 0.0e0; in func_pol()
7484 v4sigmalapltau2[1] = 0.0e0; in func_pol()
7487 v4sigmalapltau2[2] = 0.0e0; in func_pol()
7490 v4sigmalapltau2[3] = 0.0e0; in func_pol()
7493 v4sigmalapltau2[4] = 0.0e0; in func_pol()
7496 v4sigmalapltau2[5] = 0.0e0; in func_pol()
7499 v4sigmalapltau2[6] = 0.0e0; in func_pol()
7502 v4sigmalapltau2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_mvsb.c1093 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
2182 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
7635 v4sigmalapltau2[0] = 0.0e0; in func_pol()
7638 v4sigmalapltau2[1] = 0.0e0; in func_pol()
7641 v4sigmalapltau2[2] = 0.0e0; in func_pol()
7644 v4sigmalapltau2[3] = 0.0e0; in func_pol()
7647 v4sigmalapltau2[4] = 0.0e0; in func_pol()
7650 v4sigmalapltau2[5] = 0.0e0; in func_pol()
7653 v4sigmalapltau2[6] = 0.0e0; in func_pol()
7656 v4sigmalapltau2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_ms.c1334 v4sigmalapltau2[0] = 0.0e0; in func_unpol()
2619 v4sigmalapltau2[0] = 0.0e0; in func_ferr()
7403 v4sigmalapltau2[0] = 0.0e0; in func_pol()
7406 v4sigmalapltau2[1] = 0.0e0; in func_pol()
7409 v4sigmalapltau2[2] = 0.0e0; in func_pol()
7412 v4sigmalapltau2[3] = 0.0e0; in func_pol()
7415 v4sigmalapltau2[4] = 0.0e0; in func_pol()
7418 v4sigmalapltau2[5] = 0.0e0; in func_pol()
7421 v4sigmalapltau2[6] = 0.0e0; in func_pol()
7424 v4sigmalapltau2[7] = 0.0e0; in func_pol()
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/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901216 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
1237 v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
1364 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
1377 v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
1970 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, & argument
1990 v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
2005 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &
2168 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, & argument
2180 v4sigmalapl3(*), v4sigmalapl2tau(*), v4sigmalapltau2(*), v4sigmatau3(*), v4lapl4(*), & local
2189 v4sigmalapl3, v4sigmalapl2tau, v4sigmalapltau2, v4sigmatau3, v4lapl4, &

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