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Searched refs:v4sigma2lapltau (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()
335 dim->v4sigma2lapltau = 6*2*2; in internal_counters_set_mgga()
584 *v4sigma2lapltau += pos*dim->v4sigma2lapltau + offset; in internal_counters_mgga_random()
678 *v4sigma2lapltau += dim->v4sigma2lapltau + offset; in internal_counters_mgga_next()
772 *v4sigma2lapltau -= dim->v4sigma2lapltau + offset; in internal_counters_mgga_prev()
H A Dmgga.c171 assert(v4sigma2lapltau != NULL); in xc_mgga()
210 libxc_memset(v4sigma2lapltau, 0, dim->v4sigma2lapltau *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.F90620 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
641 … v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
768 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
781 … v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
1322 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, & argument
1342 … v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
1357 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
1520 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, & argument
1532 … v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
1541 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
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.c263 v4sigma2lapltau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4sigma2lapltau); in xc_mix_func()
414 sum_var(v4sigma2lapltau); in xc_mix_func()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c282 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
597 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
2916 v4sigma2lapltau[0] = 0.0e0; in func_pol()
2919 v4sigma2lapltau[1] = 0.0e0; in func_pol()
2922 v4sigma2lapltau[2] = 0.0e0; in func_pol()
2925 v4sigma2lapltau[3] = 0.0e0; in func_pol()
2928 v4sigma2lapltau[4] = 0.0e0; in func_pol()
2931 v4sigma2lapltau[5] = 0.0e0; in func_pol()
2934 v4sigma2lapltau[6] = 0.0e0; in func_pol()
2937 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c313 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
659 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
3020 v4sigma2lapltau[0] = 0.0e0; in func_pol()
3023 v4sigma2lapltau[1] = 0.0e0; in func_pol()
3026 v4sigma2lapltau[2] = 0.0e0; in func_pol()
3029 v4sigma2lapltau[3] = 0.0e0; in func_pol()
3032 v4sigma2lapltau[4] = 0.0e0; in func_pol()
3035 v4sigma2lapltau[5] = 0.0e0; in func_pol()
3038 v4sigma2lapltau[6] = 0.0e0; in func_pol()
3041 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c299 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
628 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
3335 v4sigma2lapltau[0] = 0.0e0; in func_pol()
3338 v4sigma2lapltau[1] = 0.0e0; in func_pol()
3341 v4sigma2lapltau[2] = 0.0e0; in func_pol()
3344 v4sigma2lapltau[3] = 0.0e0; in func_pol()
3347 v4sigma2lapltau[4] = 0.0e0; in func_pol()
3350 v4sigma2lapltau[5] = 0.0e0; in func_pol()
3353 v4sigma2lapltau[6] = 0.0e0; in func_pol()
3356 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c304 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
633 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
3355 v4sigma2lapltau[0] = 0.0e0; in func_pol()
3358 v4sigma2lapltau[1] = 0.0e0; in func_pol()
3361 v4sigma2lapltau[2] = 0.0e0; in func_pol()
3364 v4sigma2lapltau[3] = 0.0e0; in func_pol()
3367 v4sigma2lapltau[4] = 0.0e0; in func_pol()
3370 v4sigma2lapltau[5] = 0.0e0; in func_pol()
3373 v4sigma2lapltau[6] = 0.0e0; in func_pol()
3376 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c397 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
825 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
3663 v4sigma2lapltau[0] = 0.0e0; in func_pol()
3666 v4sigma2lapltau[1] = 0.0e0; in func_pol()
3669 v4sigma2lapltau[2] = 0.0e0; in func_pol()
3672 v4sigma2lapltau[3] = 0.0e0; in func_pol()
3675 v4sigma2lapltau[4] = 0.0e0; in func_pol()
3678 v4sigma2lapltau[5] = 0.0e0; in func_pol()
3681 v4sigma2lapltau[6] = 0.0e0; in func_pol()
3684 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c327 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
581 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
3953 v4sigma2lapltau[0] = 0.0e0; in func_pol()
3956 v4sigma2lapltau[1] = 0.0e0; in func_pol()
3959 v4sigma2lapltau[2] = 0.0e0; in func_pol()
3962 v4sigma2lapltau[3] = 0.0e0; in func_pol()
3965 v4sigma2lapltau[4] = 0.0e0; in func_pol()
3968 v4sigma2lapltau[5] = 0.0e0; in func_pol()
3971 v4sigma2lapltau[6] = 0.0e0; in func_pol()
3974 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c392 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
806 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
3736 v4sigma2lapltau[0] = 0.0e0; in func_pol()
3739 v4sigma2lapltau[1] = 0.0e0; in func_pol()
3742 v4sigma2lapltau[2] = 0.0e0; in func_pol()
3745 v4sigma2lapltau[3] = 0.0e0; in func_pol()
3748 v4sigma2lapltau[4] = 0.0e0; in func_pol()
3751 v4sigma2lapltau[5] = 0.0e0; in func_pol()
3754 v4sigma2lapltau[6] = 0.0e0; in func_pol()
3757 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c578 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
1170 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
4333 v4sigma2lapltau[0] = 0.0e0; in func_pol()
4336 v4sigma2lapltau[1] = 0.0e0; in func_pol()
4339 v4sigma2lapltau[2] = 0.0e0; in func_pol()
4342 v4sigma2lapltau[3] = 0.0e0; in func_pol()
4345 v4sigma2lapltau[4] = 0.0e0; in func_pol()
4348 v4sigma2lapltau[5] = 0.0e0; in func_pol()
4351 v4sigma2lapltau[6] = 0.0e0; in func_pol()
4354 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c472 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
961 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
4292 v4sigma2lapltau[0] = 0.0e0; in func_pol()
4295 v4sigma2lapltau[1] = 0.0e0; in func_pol()
4298 v4sigma2lapltau[2] = 0.0e0; in func_pol()
4301 v4sigma2lapltau[3] = 0.0e0; in func_pol()
4304 v4sigma2lapltau[4] = 0.0e0; in func_pol()
4307 v4sigma2lapltau[5] = 0.0e0; in func_pol()
4310 v4sigma2lapltau[6] = 0.0e0; in func_pol()
4313 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c496 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
988 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
4532 v4sigma2lapltau[0] = 0.0e0; in func_pol()
4535 v4sigma2lapltau[1] = 0.0e0; in func_pol()
4538 v4sigma2lapltau[2] = 0.0e0; in func_pol()
4541 v4sigma2lapltau[3] = 0.0e0; in func_pol()
4544 v4sigma2lapltau[4] = 0.0e0; in func_pol()
4547 v4sigma2lapltau[5] = 0.0e0; in func_pol()
4550 v4sigma2lapltau[6] = 0.0e0; in func_pol()
4553 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c434 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
899 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
4420 v4sigma2lapltau[0] = 0.0e0; in func_pol()
4423 v4sigma2lapltau[1] = 0.0e0; in func_pol()
4426 v4sigma2lapltau[2] = 0.0e0; in func_pol()
4429 v4sigma2lapltau[3] = 0.0e0; in func_pol()
4432 v4sigma2lapltau[4] = 0.0e0; in func_pol()
4435 v4sigma2lapltau[5] = 0.0e0; in func_pol()
4438 v4sigma2lapltau[6] = 0.0e0; in func_pol()
4441 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c609 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
1235 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
4537 v4sigma2lapltau[0] = 0.0e0; in func_pol()
4540 v4sigma2lapltau[1] = 0.0e0; in func_pol()
4543 v4sigma2lapltau[2] = 0.0e0; in func_pol()
4546 v4sigma2lapltau[3] = 0.0e0; in func_pol()
4549 v4sigma2lapltau[4] = 0.0e0; in func_pol()
4552 v4sigma2lapltau[5] = 0.0e0; in func_pol()
4555 v4sigma2lapltau[6] = 0.0e0; in func_pol()
4558 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c1148 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
2213 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
6311 v4sigma2lapltau[0] = 0.0e0; in func_pol()
6314 v4sigma2lapltau[1] = 0.0e0; in func_pol()
6317 v4sigma2lapltau[2] = 0.0e0; in func_pol()
6320 v4sigma2lapltau[3] = 0.0e0; in func_pol()
6323 v4sigma2lapltau[4] = 0.0e0; in func_pol()
6326 v4sigma2lapltau[5] = 0.0e0; in func_pol()
6329 v4sigma2lapltau[6] = 0.0e0; in func_pol()
6332 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c969 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
2011 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
6606 v4sigma2lapltau[0] = 0.0e0; in func_pol()
6609 v4sigma2lapltau[1] = 0.0e0; in func_pol()
6612 v4sigma2lapltau[2] = 0.0e0; in func_pol()
6615 v4sigma2lapltau[3] = 0.0e0; in func_pol()
6618 v4sigma2lapltau[4] = 0.0e0; in func_pol()
6621 v4sigma2lapltau[5] = 0.0e0; in func_pol()
6624 v4sigma2lapltau[6] = 0.0e0; in func_pol()
6627 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c881 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
1756 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
6555 v4sigma2lapltau[0] = 0.0e0; in func_pol()
6558 v4sigma2lapltau[1] = 0.0e0; in func_pol()
6561 v4sigma2lapltau[2] = 0.0e0; in func_pol()
6564 v4sigma2lapltau[3] = 0.0e0; in func_pol()
6567 v4sigma2lapltau[4] = 0.0e0; in func_pol()
6570 v4sigma2lapltau[5] = 0.0e0; in func_pol()
6573 v4sigma2lapltau[6] = 0.0e0; in func_pol()
6576 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c1203 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
2321 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
7448 v4sigma2lapltau[0] = 0.0e0; in func_pol()
7451 v4sigma2lapltau[1] = 0.0e0; in func_pol()
7454 v4sigma2lapltau[2] = 0.0e0; in func_pol()
7457 v4sigma2lapltau[3] = 0.0e0; in func_pol()
7460 v4sigma2lapltau[4] = 0.0e0; in func_pol()
7463 v4sigma2lapltau[5] = 0.0e0; in func_pol()
7466 v4sigma2lapltau[6] = 0.0e0; in func_pol()
7469 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c1278 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
2615 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
7263 v4sigma2lapltau[0] = 0.0e0; in func_pol()
7266 v4sigma2lapltau[1] = 0.0e0; in func_pol()
7269 v4sigma2lapltau[2] = 0.0e0; in func_pol()
7272 v4sigma2lapltau[3] = 0.0e0; in func_pol()
7275 v4sigma2lapltau[4] = 0.0e0; in func_pol()
7278 v4sigma2lapltau[5] = 0.0e0; in func_pol()
7281 v4sigma2lapltau[6] = 0.0e0; in func_pol()
7284 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c1077 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
2166 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
7411 v4sigma2lapltau[0] = 0.0e0; in func_pol()
7414 v4sigma2lapltau[1] = 0.0e0; in func_pol()
7417 v4sigma2lapltau[2] = 0.0e0; in func_pol()
7420 v4sigma2lapltau[3] = 0.0e0; in func_pol()
7423 v4sigma2lapltau[4] = 0.0e0; in func_pol()
7426 v4sigma2lapltau[5] = 0.0e0; in func_pol()
7429 v4sigma2lapltau[6] = 0.0e0; in func_pol()
7432 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_ms.c1313 v4sigma2lapltau[0] = 0.0e0; in func_unpol()
2599 v4sigma2lapltau[0] = 0.0e0; in func_ferr()
7171 v4sigma2lapltau[0] = 0.0e0; in func_pol()
7174 v4sigma2lapltau[1] = 0.0e0; in func_pol()
7177 v4sigma2lapltau[2] = 0.0e0; in func_pol()
7180 v4sigma2lapltau[3] = 0.0e0; in func_pol()
7183 v4sigma2lapltau[4] = 0.0e0; in func_pol()
7186 v4sigma2lapltau[5] = 0.0e0; in func_pol()
7189 v4sigma2lapltau[6] = 0.0e0; in func_pol()
7192 v4sigma2lapltau[7] = 0.0e0; in func_pol()
[all …]
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901215 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
1236 v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
1363 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
1376 v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
1969 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, & argument
1989 v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
2004 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &
2167 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, & argument
2179 v4sigma3lapl(*), v4sigma3tau(*), v4sigma2lapl2(*), v4sigma2lapltau(*), v4sigma2tau2(*), & local
2188 v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, v4sigma2lapltau, v4sigma2tau2, &

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