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Searched refs:v4sigma2lapl2 (Results 1 – 25 of 71) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c283 dim->v4sigma4 = dim->v4sigma3lapl = dim->v4sigma3tau = dim->v4sigma2lapl2 = 1; in internal_counters_set_mgga()
334 dim->v4sigma2lapl2 = 6*3; in internal_counters_set_mgga()
583 *v4sigma2lapl2 += pos*dim->v4sigma2lapl2 + offset; in internal_counters_mgga_random()
677 *v4sigma2lapl2 += dim->v4sigma2lapl2 + offset; in internal_counters_mgga_next()
771 *v4sigma2lapl2 -= dim->v4sigma2lapl2 + offset; in internal_counters_mgga_prev()
H A Dmgga.c170 assert(v4sigma2lapl2 != NULL); in xc_mgga()
209 libxc_memset(v4sigma2lapl2, 0, dim->v4sigma2lapl2 *np*sizeof(double)); in xc_mgga()
416 double *v4sigma4, double *v4sigma3lapl, double *v4sigma3tau, double *v4sigma2lapl2, in xc_mgga_lxc() argument
430 v4sigma4, v4sigma3lapl, v4sigma3tau, v4sigma2lapl2, 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.h108 P_ v4sigma4, P_ v4sigma3lapl, P_ v4sigma3tau, P_ v4sigma2lapl2, \
364 double *v4sigma4, double *v4sigma3lapl, double *v4sigma3tau, double *v4sigma2lapl2,
H A Dmix_func.c262 v4sigma2lapl2_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4sigma2lapl2); in xc_mix_func()
413 sum_var(v4sigma2lapl2); in xc_mix_func()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c279 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
594 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
2862 v4sigma2lapl2[0] = 0.0e0; in func_pol()
2865 v4sigma2lapl2[1] = 0.0e0; in func_pol()
2868 v4sigma2lapl2[2] = 0.0e0; in func_pol()
2871 v4sigma2lapl2[3] = 0.0e0; in func_pol()
2874 v4sigma2lapl2[4] = 0.0e0; in func_pol()
2877 v4sigma2lapl2[5] = 0.0e0; in func_pol()
2880 v4sigma2lapl2[6] = 0.0e0; in func_pol()
2883 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c310 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
656 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
2966 v4sigma2lapl2[0] = 0.0e0; in func_pol()
2969 v4sigma2lapl2[1] = 0.0e0; in func_pol()
2972 v4sigma2lapl2[2] = 0.0e0; in func_pol()
2975 v4sigma2lapl2[3] = 0.0e0; in func_pol()
2978 v4sigma2lapl2[4] = 0.0e0; in func_pol()
2981 v4sigma2lapl2[5] = 0.0e0; in func_pol()
2984 v4sigma2lapl2[6] = 0.0e0; in func_pol()
2987 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c296 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
625 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
3281 v4sigma2lapl2[0] = 0.0e0; in func_pol()
3284 v4sigma2lapl2[1] = 0.0e0; in func_pol()
3287 v4sigma2lapl2[2] = 0.0e0; in func_pol()
3290 v4sigma2lapl2[3] = 0.0e0; in func_pol()
3293 v4sigma2lapl2[4] = 0.0e0; in func_pol()
3296 v4sigma2lapl2[5] = 0.0e0; in func_pol()
3299 v4sigma2lapl2[6] = 0.0e0; in func_pol()
3302 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c301 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
630 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
3301 v4sigma2lapl2[0] = 0.0e0; in func_pol()
3304 v4sigma2lapl2[1] = 0.0e0; in func_pol()
3307 v4sigma2lapl2[2] = 0.0e0; in func_pol()
3310 v4sigma2lapl2[3] = 0.0e0; in func_pol()
3313 v4sigma2lapl2[4] = 0.0e0; in func_pol()
3316 v4sigma2lapl2[5] = 0.0e0; in func_pol()
3319 v4sigma2lapl2[6] = 0.0e0; in func_pol()
3322 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c394 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
822 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
3609 v4sigma2lapl2[0] = 0.0e0; in func_pol()
3612 v4sigma2lapl2[1] = 0.0e0; in func_pol()
3615 v4sigma2lapl2[2] = 0.0e0; in func_pol()
3618 v4sigma2lapl2[3] = 0.0e0; in func_pol()
3621 v4sigma2lapl2[4] = 0.0e0; in func_pol()
3624 v4sigma2lapl2[5] = 0.0e0; in func_pol()
3627 v4sigma2lapl2[6] = 0.0e0; in func_pol()
3630 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c324 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
578 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
3899 v4sigma2lapl2[0] = 0.0e0; in func_pol()
3902 v4sigma2lapl2[1] = 0.0e0; in func_pol()
3905 v4sigma2lapl2[2] = 0.0e0; in func_pol()
3908 v4sigma2lapl2[3] = 0.0e0; in func_pol()
3911 v4sigma2lapl2[4] = 0.0e0; in func_pol()
3914 v4sigma2lapl2[5] = 0.0e0; in func_pol()
3917 v4sigma2lapl2[6] = 0.0e0; in func_pol()
3920 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c389 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
803 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
3682 v4sigma2lapl2[0] = 0.0e0; in func_pol()
3685 v4sigma2lapl2[1] = 0.0e0; in func_pol()
3688 v4sigma2lapl2[2] = 0.0e0; in func_pol()
3691 v4sigma2lapl2[3] = 0.0e0; in func_pol()
3694 v4sigma2lapl2[4] = 0.0e0; in func_pol()
3697 v4sigma2lapl2[5] = 0.0e0; in func_pol()
3700 v4sigma2lapl2[6] = 0.0e0; in func_pol()
3703 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c575 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
1167 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
4279 v4sigma2lapl2[0] = 0.0e0; in func_pol()
4282 v4sigma2lapl2[1] = 0.0e0; in func_pol()
4285 v4sigma2lapl2[2] = 0.0e0; in func_pol()
4288 v4sigma2lapl2[3] = 0.0e0; in func_pol()
4291 v4sigma2lapl2[4] = 0.0e0; in func_pol()
4294 v4sigma2lapl2[5] = 0.0e0; in func_pol()
4297 v4sigma2lapl2[6] = 0.0e0; in func_pol()
4300 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c469 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
958 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
4238 v4sigma2lapl2[0] = 0.0e0; in func_pol()
4241 v4sigma2lapl2[1] = 0.0e0; in func_pol()
4244 v4sigma2lapl2[2] = 0.0e0; in func_pol()
4247 v4sigma2lapl2[3] = 0.0e0; in func_pol()
4250 v4sigma2lapl2[4] = 0.0e0; in func_pol()
4253 v4sigma2lapl2[5] = 0.0e0; in func_pol()
4256 v4sigma2lapl2[6] = 0.0e0; in func_pol()
4259 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c493 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
985 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
4478 v4sigma2lapl2[0] = 0.0e0; in func_pol()
4481 v4sigma2lapl2[1] = 0.0e0; in func_pol()
4484 v4sigma2lapl2[2] = 0.0e0; in func_pol()
4487 v4sigma2lapl2[3] = 0.0e0; in func_pol()
4490 v4sigma2lapl2[4] = 0.0e0; in func_pol()
4493 v4sigma2lapl2[5] = 0.0e0; in func_pol()
4496 v4sigma2lapl2[6] = 0.0e0; in func_pol()
4499 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c431 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
896 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
4366 v4sigma2lapl2[0] = 0.0e0; in func_pol()
4369 v4sigma2lapl2[1] = 0.0e0; in func_pol()
4372 v4sigma2lapl2[2] = 0.0e0; in func_pol()
4375 v4sigma2lapl2[3] = 0.0e0; in func_pol()
4378 v4sigma2lapl2[4] = 0.0e0; in func_pol()
4381 v4sigma2lapl2[5] = 0.0e0; in func_pol()
4384 v4sigma2lapl2[6] = 0.0e0; in func_pol()
4387 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c606 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
1232 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
4483 v4sigma2lapl2[0] = 0.0e0; in func_pol()
4486 v4sigma2lapl2[1] = 0.0e0; in func_pol()
4489 v4sigma2lapl2[2] = 0.0e0; in func_pol()
4492 v4sigma2lapl2[3] = 0.0e0; in func_pol()
4495 v4sigma2lapl2[4] = 0.0e0; in func_pol()
4498 v4sigma2lapl2[5] = 0.0e0; in func_pol()
4501 v4sigma2lapl2[6] = 0.0e0; in func_pol()
4504 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c1145 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
2210 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
6257 v4sigma2lapl2[0] = 0.0e0; in func_pol()
6260 v4sigma2lapl2[1] = 0.0e0; in func_pol()
6263 v4sigma2lapl2[2] = 0.0e0; in func_pol()
6266 v4sigma2lapl2[3] = 0.0e0; in func_pol()
6269 v4sigma2lapl2[4] = 0.0e0; in func_pol()
6272 v4sigma2lapl2[5] = 0.0e0; in func_pol()
6275 v4sigma2lapl2[6] = 0.0e0; in func_pol()
6278 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c966 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
2008 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
6552 v4sigma2lapl2[0] = 0.0e0; in func_pol()
6555 v4sigma2lapl2[1] = 0.0e0; in func_pol()
6558 v4sigma2lapl2[2] = 0.0e0; in func_pol()
6561 v4sigma2lapl2[3] = 0.0e0; in func_pol()
6564 v4sigma2lapl2[4] = 0.0e0; in func_pol()
6567 v4sigma2lapl2[5] = 0.0e0; in func_pol()
6570 v4sigma2lapl2[6] = 0.0e0; in func_pol()
6573 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c878 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
1753 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
6501 v4sigma2lapl2[0] = 0.0e0; in func_pol()
6504 v4sigma2lapl2[1] = 0.0e0; in func_pol()
6507 v4sigma2lapl2[2] = 0.0e0; in func_pol()
6510 v4sigma2lapl2[3] = 0.0e0; in func_pol()
6513 v4sigma2lapl2[4] = 0.0e0; in func_pol()
6516 v4sigma2lapl2[5] = 0.0e0; in func_pol()
6519 v4sigma2lapl2[6] = 0.0e0; in func_pol()
6522 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c1200 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
2318 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
7394 v4sigma2lapl2[0] = 0.0e0; in func_pol()
7397 v4sigma2lapl2[1] = 0.0e0; in func_pol()
7400 v4sigma2lapl2[2] = 0.0e0; in func_pol()
7403 v4sigma2lapl2[3] = 0.0e0; in func_pol()
7406 v4sigma2lapl2[4] = 0.0e0; in func_pol()
7409 v4sigma2lapl2[5] = 0.0e0; in func_pol()
7412 v4sigma2lapl2[6] = 0.0e0; in func_pol()
7415 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c1275 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
2612 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
7209 v4sigma2lapl2[0] = 0.0e0; in func_pol()
7212 v4sigma2lapl2[1] = 0.0e0; in func_pol()
7215 v4sigma2lapl2[2] = 0.0e0; in func_pol()
7218 v4sigma2lapl2[3] = 0.0e0; in func_pol()
7221 v4sigma2lapl2[4] = 0.0e0; in func_pol()
7224 v4sigma2lapl2[5] = 0.0e0; in func_pol()
7227 v4sigma2lapl2[6] = 0.0e0; in func_pol()
7230 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c1074 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
2163 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
7357 v4sigma2lapl2[0] = 0.0e0; in func_pol()
7360 v4sigma2lapl2[1] = 0.0e0; in func_pol()
7363 v4sigma2lapl2[2] = 0.0e0; in func_pol()
7366 v4sigma2lapl2[3] = 0.0e0; in func_pol()
7369 v4sigma2lapl2[4] = 0.0e0; in func_pol()
7372 v4sigma2lapl2[5] = 0.0e0; in func_pol()
7375 v4sigma2lapl2[6] = 0.0e0; in func_pol()
7378 v4sigma2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_ms.c1310 v4sigma2lapl2[0] = 0.0e0; in func_unpol()
2596 v4sigma2lapl2[0] = 0.0e0; in func_ferr()
7117 v4sigma2lapl2[0] = 0.0e0; in func_pol()
7120 v4sigma2lapl2[1] = 0.0e0; in func_pol()
7123 v4sigma2lapl2[2] = 0.0e0; in func_pol()
7126 v4sigma2lapl2[3] = 0.0e0; in func_pol()
7129 v4sigma2lapl2[4] = 0.0e0; in func_pol()
7132 v4sigma2lapl2[5] = 0.0e0; in func_pol()
7135 v4sigma2lapl2[6] = 0.0e0; in func_pol()
7138 v4sigma2lapl2[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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