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Searched refs:v4rho2lapl2 (Results 1 – 25 of 73) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c279 dim->v4rho2sigmalapl = dim->v4rho2sigmatau = dim->v4rho2lapl2 = dim->v4rho2lapltau = 1; in internal_counters_set_mgga()
320 dim->v4rho2lapl2 = 3*3; in internal_counters_set_mgga()
574 *v4rho2lapl2 += pos*dim->v4rho2lapl2 + offset; in internal_counters_mgga_random()
668 *v4rho2lapl2 += dim->v4rho2lapl2 + offset; in internal_counters_mgga_next()
762 *v4rho2lapl2 -= dim->v4rho2lapl2 + offset; in internal_counters_mgga_prev()
H A Dmgga.c161 assert(v4rho2lapl2 != NULL); in xc_mgga()
200 libxc_memset(v4rho2lapl2, 0, dim->v4rho2lapl2 *np*sizeof(double)); in xc_mgga()
412 … double *v4rho2sigmalapl, double *v4rho2sigmatau, double *v4rho2lapl2, double *v4rho2lapltau, in xc_mgga_lxc() argument
426 v4rho2sigmalapl, v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, in xc_mgga_lxc()
H A Dlibxc_master.F90617 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
638 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
765 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
778 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1319 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
1339 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1354 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
1517 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
1529 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1538 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
H A Dxc.h104 P_ v4rho2sigmalapl, P_ v4rho2sigmatau, P_ v4rho2lapl2, P_ v4rho2lapltau, \
360 double *v4rho2sigmalapl, double *v4rho2sigmatau, double *v4rho2lapl2, double *v4rho2lapltau,
H A Dmix_func.c248 v4rho2lapl2_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rho2lapl2); in xc_mix_func()
404 sum_var(v4rho2lapl2); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901212 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
1233 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1360 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
1373 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1966 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
1986 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
2001 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
2164 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
2176 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
2185 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c231 v4rho2lapl2[0] = 0.0e0; in func_unpol()
546 v4rho2lapl2[0] = 0.0e0; in func_ferr()
2103 v4rho2lapl2[0] = 0.0e0; in func_pol()
2106 v4rho2lapl2[1] = 0.0e0; in func_pol()
2109 v4rho2lapl2[2] = 0.0e0; in func_pol()
2112 v4rho2lapl2[3] = 0.0e0; in func_pol()
2115 v4rho2lapl2[4] = 0.0e0; in func_pol()
2118 v4rho2lapl2[5] = 0.0e0; in func_pol()
2121 v4rho2lapl2[6] = 0.0e0; in func_pol()
2124 v4rho2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c262 v4rho2lapl2[0] = 0.0e0; in func_unpol()
608 v4rho2lapl2[0] = 0.0e0; in func_ferr()
2207 v4rho2lapl2[0] = 0.0e0; in func_pol()
2210 v4rho2lapl2[1] = 0.0e0; in func_pol()
2213 v4rho2lapl2[2] = 0.0e0; in func_pol()
2216 v4rho2lapl2[3] = 0.0e0; in func_pol()
2219 v4rho2lapl2[4] = 0.0e0; in func_pol()
2222 v4rho2lapl2[5] = 0.0e0; in func_pol()
2225 v4rho2lapl2[6] = 0.0e0; in func_pol()
2228 v4rho2lapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gdme.c248 v4rho2lapl2[0] = 0.0e0; in func_unpol()
577 v4rho2lapl2[0] = 0.0e0; in func_ferr()
2522 v4rho2lapl2[0] = 0.0e0; in func_pol()
2525 v4rho2lapl2[1] = 0.0e0; in func_pol()
2528 v4rho2lapl2[2] = 0.0e0; in func_pol()
2531 v4rho2lapl2[3] = 0.0e0; in func_pol()
2534 v4rho2lapl2[4] = 0.0e0; in func_pol()
2537 v4rho2lapl2[5] = 0.0e0; in func_pol()
2540 v4rho2lapl2[6] = 0.0e0; in func_pol()
2543 v4rho2lapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_lta.c253 v4rho2lapl2[0] = 0.0e0; in func_unpol()
582 v4rho2lapl2[0] = 0.0e0; in func_ferr()
2512 v4rho2lapl2[0] = 0.0e0; in func_pol()
2515 v4rho2lapl2[1] = 0.0e0; in func_pol()
2518 v4rho2lapl2[2] = 0.0e0; in func_pol()
2521 v4rho2lapl2[3] = 0.0e0; in func_pol()
2524 v4rho2lapl2[4] = 0.0e0; in func_pol()
2527 v4rho2lapl2[5] = 0.0e0; in func_pol()
2530 v4rho2lapl2[6] = 0.0e0; in func_pol()
2533 v4rho2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c337 … v4rho2lapl2[0] = -t193 * t142 / 0.12e2 - t109 * t247 / 0.2e1 - 0.3e1 / 0.16e2 * t40 * t41 * t427; in func_unpol()
765 v4rho2lapl2[0] = -t184 * t133 / 0.6e1 - t98 * t236 - 0.3e1 / 0.8e1 * t34 * t35 * t411; in func_ferr()
2798 …v4rho2lapl2[0] = -t2909 - 0.4e1 / 0.3e1 * t2910 - t2912 - t145 * t256 * t453 * t180 / 0.6e1 - t145… in func_pol()
2801 v4rho2lapl2[1] = 0.0e0; in func_pol()
2806 …v4rho2lapl2[2] = -t2948 - 0.4e1 / 0.3e1 * t2949 - t145 * t279 * t463 * t236 / 0.6e1 - t145 * t383 … in func_pol()
2810 …v4rho2lapl2[3] = -t2909 - 0.2e1 / 0.3e1 * t2910 - t2912 / 0.2e1 - 0.2e1 / 0.3e1 * t2961 - t963 * t… in func_pol()
2813 v4rho2lapl2[4] = 0.0e0; in func_pol()
2818 …v4rho2lapl2[5] = -t2948 - 0.2e1 / 0.3e1 * t2949 - 0.2e1 / 0.3e1 * t2976 - t963 * t234 * t463 * t28… in func_pol()
2821 …v4rho2lapl2[6] = -t2909 - 0.4e1 / 0.3e1 * t2961 - t145 * t256 * t453 * t305 / 0.6e1 - t145 * t360 … in func_pol()
2824 v4rho2lapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_c_cs.c276 v4rho2lapl2[0] = 0.0e0; in func_unpol()
530 v4rho2lapl2[0] = 0.0e0; in func_ferr()
3140 v4rho2lapl2[0] = 0.0e0; in func_pol()
3143 v4rho2lapl2[1] = 0.0e0; in func_pol()
3146 v4rho2lapl2[2] = 0.0e0; in func_pol()
3149 v4rho2lapl2[3] = 0.0e0; in func_pol()
3152 v4rho2lapl2[4] = 0.0e0; in func_pol()
3155 v4rho2lapl2[5] = 0.0e0; in func_pol()
3158 v4rho2lapl2[6] = 0.0e0; in func_pol()
3161 v4rho2lapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_2d_js17.c337 v4rho2lapl2[0] = 0.0e0; in func_unpol()
750 v4rho2lapl2[0] = 0.0e0; in func_ferr()
2903 v4rho2lapl2[0] = 0.0e0; in func_pol()
2906 v4rho2lapl2[1] = 0.0e0; in func_pol()
2909 v4rho2lapl2[2] = 0.0e0; in func_pol()
2912 v4rho2lapl2[3] = 0.0e0; in func_pol()
2915 v4rho2lapl2[4] = 0.0e0; in func_pol()
2918 v4rho2lapl2[5] = 0.0e0; in func_pol()
2921 v4rho2lapl2[6] = 0.0e0; in func_pol()
2924 v4rho2lapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gvt4.c510 v4rho2lapl2[0] = 0.0e0; in func_unpol()
1104 v4rho2lapl2[0] = 0.0e0; in func_ferr()
3474 v4rho2lapl2[0] = 0.0e0; in func_pol()
3477 v4rho2lapl2[1] = 0.0e0; in func_pol()
3480 v4rho2lapl2[2] = 0.0e0; in func_pol()
3483 v4rho2lapl2[3] = 0.0e0; in func_pol()
3486 v4rho2lapl2[4] = 0.0e0; in func_pol()
3489 v4rho2lapl2[5] = 0.0e0; in func_pol()
3492 v4rho2lapl2[6] = 0.0e0; in func_pol()
3495 v4rho2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c409 v4rho2lapl2[0] = 0.0e0; in func_unpol()
899 v4rho2lapl2[0] = 0.0e0; in func_ferr()
3413 v4rho2lapl2[0] = 0.0e0; in func_pol()
3416 v4rho2lapl2[1] = 0.0e0; in func_pol()
3419 v4rho2lapl2[2] = 0.0e0; in func_pol()
3422 v4rho2lapl2[3] = 0.0e0; in func_pol()
3425 v4rho2lapl2[4] = 0.0e0; in func_pol()
3428 v4rho2lapl2[5] = 0.0e0; in func_pol()
3431 v4rho2lapl2[6] = 0.0e0; in func_pol()
3434 v4rho2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c440 v4rho2lapl2[0] = 0.0e0; in func_unpol()
932 v4rho2lapl2[0] = 0.0e0; in func_ferr()
3681 v4rho2lapl2[0] = 0.0e0; in func_pol()
3684 v4rho2lapl2[1] = 0.0e0; in func_pol()
3687 v4rho2lapl2[2] = 0.0e0; in func_pol()
3690 v4rho2lapl2[3] = 0.0e0; in func_pol()
3693 v4rho2lapl2[4] = 0.0e0; in func_pol()
3696 v4rho2lapl2[5] = 0.0e0; in func_pol()
3699 v4rho2lapl2[6] = 0.0e0; in func_pol()
3702 v4rho2lapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_xc_cc06.c382 …v4rho2lapl2[0] = 0.2e1 * t86 * t238 + 0.2e1 * t40 * t406 + t173 * t238 + 0.2e1 * t87 * t406 + t89 … in func_unpol()
847 …v4rho2lapl2[0] = 0.2e1 * t83 * t235 + 0.2e1 * t37 * t403 + t170 * t235 + 0.2e1 * t84 * t403 + t86 … in func_ferr()
3505 …v4rho2lapl2[0] = 0.2e1 * t2155 * t230 + t232 * t5461 + t526 * t854 + 0.2e1 * t5395 + 0.2e1 * t5397; in func_pol()
3531 …v4rho2lapl2[1] = 0.2e1 * t5463 + 0.2e1 * t5465 + t526 * t865 + 0.2e1 * t230 * t2189 + t232 * (t552… in func_pol()
3539 …v4rho2lapl2[2] = 0.2e1 * t5570 + 0.2e1 * t5572 + t526 * t878 + 0.2e1 * t230 * t2209 + t232 * (-0.6… in func_pol()
3548 …v4rho2lapl2[3] = t2155 * t276 + t2225 * t230 + t232 * t5674 + t626 * t854 + t5395 + t5397 + t5614 … in func_pol()
3569 …v4rho2lapl2[4] = t5463 + t5465 + t5676 + t626 * t865 + t276 * t2189 + t5679 + t230 * t2254 + t232 … in func_pol()
3579 …v4rho2lapl2[5] = t2209 * t276 + t2279 * t230 + t232 * t5866 + t626 * t878 + t5570 + t5572 + t5806 … in func_pol()
3583 …v4rho2lapl2[6] = 0.2e1 * t5614 + 0.2e1 * t5617 + t704 * t854 + 0.2e1 * t276 * t2225 + t232 * (-0.6… in func_pol()
3596 …v4rho2lapl2[7] = 0.2e1 * t5676 + 0.2e1 * t5679 + t704 * t865 + 0.2e1 * t276 * t2254 + t232 * (t595… in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c545 v4rho2lapl2[0] = 0.0e0; in func_unpol()
1172 v4rho2lapl2[0] = 0.0e0; in func_ferr()
3680 v4rho2lapl2[0] = 0.0e0; in func_pol()
3683 v4rho2lapl2[1] = 0.0e0; in func_pol()
3686 v4rho2lapl2[2] = 0.0e0; in func_pol()
3689 v4rho2lapl2[3] = 0.0e0; in func_pol()
3692 v4rho2lapl2[4] = 0.0e0; in func_pol()
3695 v4rho2lapl2[5] = 0.0e0; in func_pol()
3698 v4rho2lapl2[6] = 0.0e0; in func_pol()
3701 v4rho2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c1013 v4rho2lapl2[0] = 0.0e0; in func_unpol()
2112 v4rho2lapl2[0] = 0.0e0; in func_ferr()
5383 v4rho2lapl2[0] = 0.0e0; in func_pol()
5386 v4rho2lapl2[1] = 0.0e0; in func_pol()
5389 v4rho2lapl2[2] = 0.0e0; in func_pol()
5392 v4rho2lapl2[3] = 0.0e0; in func_pol()
5395 v4rho2lapl2[4] = 0.0e0; in func_pol()
5398 v4rho2lapl2[5] = 0.0e0; in func_pol()
5401 v4rho2lapl2[6] = 0.0e0; in func_pol()
5404 v4rho2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c877 v4rho2lapl2[0] = 0.0e0; in func_unpol()
1912 v4rho2lapl2[0] = 0.0e0; in func_ferr()
5668 v4rho2lapl2[0] = 0.0e0; in func_pol()
5671 v4rho2lapl2[1] = 0.0e0; in func_pol()
5674 v4rho2lapl2[2] = 0.0e0; in func_pol()
5677 v4rho2lapl2[3] = 0.0e0; in func_pol()
5680 v4rho2lapl2[4] = 0.0e0; in func_pol()
5683 v4rho2lapl2[5] = 0.0e0; in func_pol()
5686 v4rho2lapl2[6] = 0.0e0; in func_pol()
5689 v4rho2lapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_mvs.c772 v4rho2lapl2[0] = 0.0e0; in func_unpol()
1649 v4rho2lapl2[0] = 0.0e0; in func_ferr()
5572 v4rho2lapl2[0] = 0.0e0; in func_pol()
5575 v4rho2lapl2[1] = 0.0e0; in func_pol()
5578 v4rho2lapl2[2] = 0.0e0; in func_pol()
5581 v4rho2lapl2[3] = 0.0e0; in func_pol()
5584 v4rho2lapl2[4] = 0.0e0; in func_pol()
5587 v4rho2lapl2[5] = 0.0e0; in func_pol()
5590 v4rho2lapl2[6] = 0.0e0; in func_pol()
5593 v4rho2lapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_pbe_gx.c1079 v4rho2lapl2[0] = 0.0e0; in func_unpol()
2227 v4rho2lapl2[0] = 0.0e0; in func_ferr()
6493 v4rho2lapl2[0] = 0.0e0; in func_pol()
6496 v4rho2lapl2[1] = 0.0e0; in func_pol()
6499 v4rho2lapl2[2] = 0.0e0; in func_pol()
6502 v4rho2lapl2[3] = 0.0e0; in func_pol()
6505 v4rho2lapl2[4] = 0.0e0; in func_pol()
6508 v4rho2lapl2[5] = 0.0e0; in func_pol()
6511 v4rho2lapl2[6] = 0.0e0; in func_pol()
6514 v4rho2lapl2[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c1164 v4rho2lapl2[0] = 0.0e0; in func_unpol()
2499 v4rho2lapl2[0] = 0.0e0; in func_ferr()
6305 v4rho2lapl2[0] = 0.0e0; in func_pol()
6308 v4rho2lapl2[1] = 0.0e0; in func_pol()
6311 v4rho2lapl2[2] = 0.0e0; in func_pol()
6314 v4rho2lapl2[3] = 0.0e0; in func_pol()
6317 v4rho2lapl2[4] = 0.0e0; in func_pol()
6320 v4rho2lapl2[5] = 0.0e0; in func_pol()
6323 v4rho2lapl2[6] = 0.0e0; in func_pol()
6326 v4rho2lapl2[7] = 0.0e0; in func_pol()
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H A Dmgga_x_mvsb.c967 v4rho2lapl2[0] = 0.0e0; in func_unpol()
2060 v4rho2lapl2[0] = 0.0e0; in func_ferr()
6428 v4rho2lapl2[0] = 0.0e0; in func_pol()
6431 v4rho2lapl2[1] = 0.0e0; in func_pol()
6434 v4rho2lapl2[2] = 0.0e0; in func_pol()
6437 v4rho2lapl2[3] = 0.0e0; in func_pol()
6440 v4rho2lapl2[4] = 0.0e0; in func_pol()
6443 v4rho2lapl2[5] = 0.0e0; in func_pol()
6446 v4rho2lapl2[6] = 0.0e0; in func_pol()
6449 v4rho2lapl2[7] = 0.0e0; in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c493 v4rho2lapl2[0] = t992 + t1024; in func_unpol()
1105 v4rho2lapl2[0] = t936 + t968; in func_ferr()
2029 v4rho2lapl2[0] = t765 + t799; in func_pol()
2032 v4rho2lapl2[1] = 0.0e0; in func_pol()
2035 v4rho2lapl2[2] = 0.0e0; in func_pol()
2038 v4rho2lapl2[3] = 0.0e0; in func_pol()
2041 v4rho2lapl2[4] = 0.0e0; in func_pol()
2044 v4rho2lapl2[5] = 0.0e0; in func_pol()
2047 v4rho2lapl2[6] = 0.0e0; in func_pol()
2050 v4rho2lapl2[7] = 0.0e0; in func_pol()
[all …]

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