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Searched refs:v4sigmalapl3 (Results 1 – 25 of 71) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c284 dim->v4sigma2lapltau = dim->v4sigma2tau2 = dim->v4sigmalapl3 = dim->v4sigmalapl2tau = 1; in internal_counters_set_mgga()
337 dim->v4sigmalapl3 = 3*4; in internal_counters_set_mgga()
585 *v4sigmalapl3 += pos*dim->v4sigmalapl3 + offset; in internal_counters_mgga_random()
679 *v4sigmalapl3 += dim->v4sigmalapl3 + offset; in internal_counters_mgga_next()
773 *v4sigmalapl3 -= dim->v4sigmalapl3 + offset; in internal_counters_mgga_prev()
H A Dmgga.c172 assert(v4sigmalapl3 != NULL); in xc_mgga()
211 libxc_memset(v4sigmalapl3, 0, dim->v4sigmalapl3 *np*sizeof(double)); in xc_mgga()
417 … double *v4sigma2lapltau, double *v4sigma2tau2, double *v4sigmalapl3, double *v4sigmalapl2tau, in xc_mgga_lxc() argument
431 v4sigma2lapltau, v4sigma2tau2, v4sigmalapl3, v4sigmalapl2tau, 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.h109 P_ v4sigma2lapltau, P_ v4sigma2tau2, P_ v4sigmalapl3, P_ v4sigmalapl2tau,\
365 double *v4sigma2lapltau, double *v4sigma2tau2, double *v4sigmalapl3, double *v4sigmalapl2tau,
H A Dmix_func.c265 v4sigmalapl3_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4sigmalapl3); in xc_mix_func()
415 sum_var(v4sigmalapl3); in xc_mix_func()
/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, &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c288 v4sigmalapl3[0] = 0.0e0; in func_unpol()
603 v4sigmalapl3[0] = 0.0e0; in func_ferr()
3042 v4sigmalapl3[0] = 0.0e0; in func_pol()
3045 v4sigmalapl3[1] = 0.0e0; in func_pol()
3048 v4sigmalapl3[2] = 0.0e0; in func_pol()
3051 v4sigmalapl3[3] = 0.0e0; in func_pol()
3054 v4sigmalapl3[4] = 0.0e0; in func_pol()
3057 v4sigmalapl3[5] = 0.0e0; in func_pol()
3060 v4sigmalapl3[6] = 0.0e0; in func_pol()
3063 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_xc_zlp.c319 v4sigmalapl3[0] = 0.0e0; in func_unpol()
665 v4sigmalapl3[0] = 0.0e0; in func_ferr()
3146 v4sigmalapl3[0] = 0.0e0; in func_pol()
3149 v4sigmalapl3[1] = 0.0e0; in func_pol()
3152 v4sigmalapl3[2] = 0.0e0; in func_pol()
3155 v4sigmalapl3[3] = 0.0e0; in func_pol()
3158 v4sigmalapl3[4] = 0.0e0; in func_pol()
3161 v4sigmalapl3[5] = 0.0e0; in func_pol()
3164 v4sigmalapl3[6] = 0.0e0; in func_pol()
3167 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gdme.c305 v4sigmalapl3[0] = 0.0e0; in func_unpol()
634 v4sigmalapl3[0] = 0.0e0; in func_ferr()
3461 v4sigmalapl3[0] = 0.0e0; in func_pol()
3464 v4sigmalapl3[1] = 0.0e0; in func_pol()
3467 v4sigmalapl3[2] = 0.0e0; in func_pol()
3470 v4sigmalapl3[3] = 0.0e0; in func_pol()
3473 v4sigmalapl3[4] = 0.0e0; in func_pol()
3476 v4sigmalapl3[5] = 0.0e0; in func_pol()
3479 v4sigmalapl3[6] = 0.0e0; in func_pol()
3482 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_lta.c310 v4sigmalapl3[0] = 0.0e0; in func_unpol()
639 v4sigmalapl3[0] = 0.0e0; in func_ferr()
3481 v4sigmalapl3[0] = 0.0e0; in func_pol()
3484 v4sigmalapl3[1] = 0.0e0; in func_pol()
3487 v4sigmalapl3[2] = 0.0e0; in func_pol()
3490 v4sigmalapl3[3] = 0.0e0; in func_pol()
3493 v4sigmalapl3[4] = 0.0e0; in func_pol()
3496 v4sigmalapl3[5] = 0.0e0; in func_pol()
3499 v4sigmalapl3[6] = 0.0e0; in func_pol()
3502 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_rlda.c403 v4sigmalapl3[0] = 0.0e0; in func_unpol()
831 v4sigmalapl3[0] = 0.0e0; in func_ferr()
3789 v4sigmalapl3[0] = 0.0e0; in func_pol()
3792 v4sigmalapl3[1] = 0.0e0; in func_pol()
3795 v4sigmalapl3[2] = 0.0e0; in func_pol()
3798 v4sigmalapl3[3] = 0.0e0; in func_pol()
3801 v4sigmalapl3[4] = 0.0e0; in func_pol()
3804 v4sigmalapl3[5] = 0.0e0; in func_pol()
3807 v4sigmalapl3[6] = 0.0e0; in func_pol()
3810 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_c_cs.c333 v4sigmalapl3[0] = 0.0e0; in func_unpol()
587 v4sigmalapl3[0] = 0.0e0; in func_ferr()
4079 v4sigmalapl3[0] = 0.0e0; in func_pol()
4082 v4sigmalapl3[1] = 0.0e0; in func_pol()
4085 v4sigmalapl3[2] = 0.0e0; in func_pol()
4088 v4sigmalapl3[3] = 0.0e0; in func_pol()
4091 v4sigmalapl3[4] = 0.0e0; in func_pol()
4094 v4sigmalapl3[5] = 0.0e0; in func_pol()
4097 v4sigmalapl3[6] = 0.0e0; in func_pol()
4100 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_2d_js17.c398 v4sigmalapl3[0] = 0.0e0; in func_unpol()
812 v4sigmalapl3[0] = 0.0e0; in func_ferr()
3862 v4sigmalapl3[0] = 0.0e0; in func_pol()
3865 v4sigmalapl3[1] = 0.0e0; in func_pol()
3868 v4sigmalapl3[2] = 0.0e0; in func_pol()
3871 v4sigmalapl3[3] = 0.0e0; in func_pol()
3874 v4sigmalapl3[4] = 0.0e0; in func_pol()
3877 v4sigmalapl3[5] = 0.0e0; in func_pol()
3880 v4sigmalapl3[6] = 0.0e0; in func_pol()
3883 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gvt4.c586 v4sigmalapl3[0] = 0.0e0; in func_unpol()
1177 v4sigmalapl3[0] = 0.0e0; in func_ferr()
4461 v4sigmalapl3[0] = 0.0e0; in func_pol()
4464 v4sigmalapl3[1] = 0.0e0; in func_pol()
4467 v4sigmalapl3[2] = 0.0e0; in func_pol()
4470 v4sigmalapl3[3] = 0.0e0; in func_pol()
4473 v4sigmalapl3[4] = 0.0e0; in func_pol()
4476 v4sigmalapl3[5] = 0.0e0; in func_pol()
4479 v4sigmalapl3[6] = 0.0e0; in func_pol()
4482 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_pkzb.c479 v4sigmalapl3[0] = 0.0e0; in func_unpol()
968 v4sigmalapl3[0] = 0.0e0; in func_ferr()
4420 v4sigmalapl3[0] = 0.0e0; in func_pol()
4423 v4sigmalapl3[1] = 0.0e0; in func_pol()
4426 v4sigmalapl3[2] = 0.0e0; in func_pol()
4429 v4sigmalapl3[3] = 0.0e0; in func_pol()
4432 v4sigmalapl3[4] = 0.0e0; in func_pol()
4435 v4sigmalapl3[5] = 0.0e0; in func_pol()
4438 v4sigmalapl3[6] = 0.0e0; in func_pol()
4441 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dhyb_mgga_x_dldf.c502 v4sigmalapl3[0] = 0.0e0; in func_unpol()
994 v4sigmalapl3[0] = 0.0e0; in func_ferr()
4658 v4sigmalapl3[0] = 0.0e0; in func_pol()
4661 v4sigmalapl3[1] = 0.0e0; in func_pol()
4664 v4sigmalapl3[2] = 0.0e0; in func_pol()
4667 v4sigmalapl3[3] = 0.0e0; in func_pol()
4670 v4sigmalapl3[4] = 0.0e0; in func_pol()
4673 v4sigmalapl3[5] = 0.0e0; in func_pol()
4676 v4sigmalapl3[6] = 0.0e0; in func_pol()
4679 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_xc_cc06.c440 v4sigmalapl3[0] = 0.0e0; in func_unpol()
905 v4sigmalapl3[0] = 0.0e0; in func_ferr()
4546 v4sigmalapl3[0] = 0.0e0; in func_pol()
4549 v4sigmalapl3[1] = 0.0e0; in func_pol()
4552 v4sigmalapl3[2] = 0.0e0; in func_pol()
4555 v4sigmalapl3[3] = 0.0e0; in func_pol()
4558 v4sigmalapl3[4] = 0.0e0; in func_pol()
4561 v4sigmalapl3[5] = 0.0e0; in func_pol()
4564 v4sigmalapl3[6] = 0.0e0; in func_pol()
4567 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_tau_hcth.c615 v4sigmalapl3[0] = 0.0e0; in func_unpol()
1241 v4sigmalapl3[0] = 0.0e0; in func_ferr()
4663 v4sigmalapl3[0] = 0.0e0; in func_pol()
4666 v4sigmalapl3[1] = 0.0e0; in func_pol()
4669 v4sigmalapl3[2] = 0.0e0; in func_pol()
4672 v4sigmalapl3[3] = 0.0e0; in func_pol()
4675 v4sigmalapl3[4] = 0.0e0; in func_pol()
4678 v4sigmalapl3[5] = 0.0e0; in func_pol()
4681 v4sigmalapl3[6] = 0.0e0; in func_pol()
4684 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gx.c1162 v4sigmalapl3[0] = 0.0e0; in func_unpol()
2222 v4sigmalapl3[0] = 0.0e0; in func_ferr()
6443 v4sigmalapl3[0] = 0.0e0; in func_pol()
6446 v4sigmalapl3[1] = 0.0e0; in func_pol()
6449 v4sigmalapl3[2] = 0.0e0; in func_pol()
6452 v4sigmalapl3[3] = 0.0e0; in func_pol()
6455 v4sigmalapl3[4] = 0.0e0; in func_pol()
6458 v4sigmalapl3[5] = 0.0e0; in func_pol()
6461 v4sigmalapl3[6] = 0.0e0; in func_pol()
6464 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dhyb_mgga_x_m05.c975 v4sigmalapl3[0] = 0.0e0; in func_unpol()
2017 v4sigmalapl3[0] = 0.0e0; in func_ferr()
6732 v4sigmalapl3[0] = 0.0e0; in func_pol()
6735 v4sigmalapl3[1] = 0.0e0; in func_pol()
6738 v4sigmalapl3[2] = 0.0e0; in func_pol()
6741 v4sigmalapl3[3] = 0.0e0; in func_pol()
6744 v4sigmalapl3[4] = 0.0e0; in func_pol()
6747 v4sigmalapl3[5] = 0.0e0; in func_pol()
6750 v4sigmalapl3[6] = 0.0e0; in func_pol()
6753 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_mvs.c891 v4sigmalapl3[0] = 0.0e0; in func_unpol()
1765 v4sigmalapl3[0] = 0.0e0; in func_ferr()
6687 v4sigmalapl3[0] = 0.0e0; in func_pol()
6690 v4sigmalapl3[1] = 0.0e0; in func_pol()
6693 v4sigmalapl3[2] = 0.0e0; in func_pol()
6696 v4sigmalapl3[3] = 0.0e0; in func_pol()
6699 v4sigmalapl3[4] = 0.0e0; in func_pol()
6702 v4sigmalapl3[5] = 0.0e0; in func_pol()
6705 v4sigmalapl3[6] = 0.0e0; in func_pol()
6708 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_pbe_gx.c1215 v4sigmalapl3[0] = 0.0e0; in func_unpol()
2328 v4sigmalapl3[0] = 0.0e0; in func_ferr()
7578 v4sigmalapl3[0] = 0.0e0; in func_pol()
7581 v4sigmalapl3[1] = 0.0e0; in func_pol()
7584 v4sigmalapl3[2] = 0.0e0; in func_pol()
7587 v4sigmalapl3[3] = 0.0e0; in func_pol()
7590 v4sigmalapl3[4] = 0.0e0; in func_pol()
7593 v4sigmalapl3[5] = 0.0e0; in func_pol()
7596 v4sigmalapl3[6] = 0.0e0; in func_pol()
7599 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_m06l.c1285 v4sigmalapl3[0] = 0.0e0; in func_unpol()
2622 v4sigmalapl3[0] = 0.0e0; in func_ferr()
7391 v4sigmalapl3[0] = 0.0e0; in func_pol()
7394 v4sigmalapl3[1] = 0.0e0; in func_pol()
7397 v4sigmalapl3[2] = 0.0e0; in func_pol()
7400 v4sigmalapl3[3] = 0.0e0; in func_pol()
7403 v4sigmalapl3[4] = 0.0e0; in func_pol()
7406 v4sigmalapl3[5] = 0.0e0; in func_pol()
7409 v4sigmalapl3[6] = 0.0e0; in func_pol()
7412 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_mvsb.c1087 v4sigmalapl3[0] = 0.0e0; in func_unpol()
2176 v4sigmalapl3[0] = 0.0e0; in func_ferr()
7545 v4sigmalapl3[0] = 0.0e0; in func_pol()
7548 v4sigmalapl3[1] = 0.0e0; in func_pol()
7551 v4sigmalapl3[2] = 0.0e0; in func_pol()
7554 v4sigmalapl3[3] = 0.0e0; in func_pol()
7557 v4sigmalapl3[4] = 0.0e0; in func_pol()
7560 v4sigmalapl3[5] = 0.0e0; in func_pol()
7563 v4sigmalapl3[6] = 0.0e0; in func_pol()
7566 v4sigmalapl3[7] = 0.0e0; in func_pol()
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H A Dmgga_x_ms.c1328 v4sigmalapl3[0] = 0.0e0; in func_unpol()
2613 v4sigmalapl3[0] = 0.0e0; in func_ferr()
7313 v4sigmalapl3[0] = 0.0e0; in func_pol()
7316 v4sigmalapl3[1] = 0.0e0; in func_pol()
7319 v4sigmalapl3[2] = 0.0e0; in func_pol()
7322 v4sigmalapl3[3] = 0.0e0; in func_pol()
7325 v4sigmalapl3[4] = 0.0e0; in func_pol()
7328 v4sigmalapl3[5] = 0.0e0; in func_pol()
7331 v4sigmalapl3[6] = 0.0e0; in func_pol()
7334 v4sigmalapl3[7] = 0.0e0; in func_pol()
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