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Searched refs:v3lapl2tau (Results 1 – 25 of 71) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c114 assert(v3lapl2tau != NULL); in xc_mgga()
137 libxc_memset(v3lapl2tau, 0, dim->v3lapl2tau *np*sizeof(double)); in xc_mgga()
309 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2, in xc_mgga_exc_vxc_fxc_kxc() argument
316 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, in xc_mgga_exc_vxc_fxc_kxc()
335 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2, in xc_mgga_vxc_fxc_kxc() argument
342 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, in xc_mgga_vxc_fxc_kxc()
394 double *v3lapl3, double *v3lapl2tau, double *v3lapltau2, double *v3tau3) in xc_mgga_kxc() argument
400 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, in xc_mgga_kxc()
H A Dutil.c274 dim->v3rhotau2 = dim->v3lapl2tau = dim->v3lapltau2 = dim->v3rholapltau = 1; in internal_counters_set_mgga()
311 dim->v3lapl2tau = 3*2; in internal_counters_set_mgga()
559 *v3lapl2tau += pos*dim->v3lapl2tau + offset; in internal_counters_mgga_random()
653 *v3lapl2tau += dim->v3lapl2tau + offset; in internal_counters_mgga_next()
747 *v3lapl2tau -= dim->v3lapl2tau + offset; in internal_counters_mgga_prev()
H A Dlibxc_master.F90614 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
679 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
720 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
750 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1316 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1351 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1403 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1422 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1456 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1475 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
[all …]
H A Dxc.h102 P_ v3lapl2tau, P_ v3lapltau2, P_ v3tau3, \
320 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2,
337 … double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2,
349 double *v3sigmatau2, double *v3lapl3, double *v3lapl2tau, double *v3lapltau2,
H A Dmix_func.c230 v3lapl2tau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3lapl2tau); in xc_mix_func()
378 sum_var(v3lapl2tau); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901209 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1274 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1315 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1345 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
1963 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
1998 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
2050 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
2069 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
2103 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, & argument
2122 v3sigma2tau, v3sigmalapl2, v3sigmalapltau, v3sigmatau2, v3lapl3, v3lapl2tau, &
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c196 v3lapl2tau[0] = 0.0e0; in func_unpol()
511 v3lapl2tau[0] = 0.0e0; in func_ferr()
1630 v3lapl2tau[0] = 0.0e0; in func_pol()
1633 v3lapl2tau[1] = 0.0e0; in func_pol()
1636 v3lapl2tau[2] = 0.0e0; in func_pol()
1639 v3lapl2tau[3] = 0.0e0; in func_pol()
1642 v3lapl2tau[4] = 0.0e0; in func_pol()
1645 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_xc_zlp.c225 v3lapl2tau[0] = 0.0e0; in func_unpol()
571 v3lapl2tau[0] = 0.0e0; in func_ferr()
1726 v3lapl2tau[0] = 0.0e0; in func_pol()
1729 v3lapl2tau[1] = 0.0e0; in func_pol()
1732 v3lapl2tau[2] = 0.0e0; in func_pol()
1735 v3lapl2tau[3] = 0.0e0; in func_pol()
1738 v3lapl2tau[4] = 0.0e0; in func_pol()
1741 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_gdme.c211 v3lapl2tau[0] = 0.0e0; in func_unpol()
540 v3lapl2tau[0] = 0.0e0; in func_ferr()
1971 v3lapl2tau[0] = 0.0e0; in func_pol()
1974 v3lapl2tau[1] = 0.0e0; in func_pol()
1977 v3lapl2tau[2] = 0.0e0; in func_pol()
1980 v3lapl2tau[3] = 0.0e0; in func_pol()
1983 v3lapl2tau[4] = 0.0e0; in func_pol()
1986 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_lta.c209 v3lapl2tau[0] = 0.0e0; in func_unpol()
539 v3lapl2tau[0] = 0.0e0; in func_ferr()
1961 v3lapl2tau[0] = 0.0e0; in func_pol()
1964 v3lapl2tau[1] = 0.0e0; in func_pol()
1967 v3lapl2tau[2] = 0.0e0; in func_pol()
1970 v3lapl2tau[3] = 0.0e0; in func_pol()
1973 v3lapl2tau[4] = 0.0e0; in func_pol()
1976 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_rlda.c277 v3lapl2tau[0] = -0.3e1 / 0.16e2 * t40 * t280; in func_unpol()
705 v3lapl2tau[0] = -0.3e1 / 0.8e1 * t34 * t269; in func_ferr()
2230 v3lapl2tau[0] = -0.3e1 / 0.8e1 * t145 * t1283; in func_pol()
2233 v3lapl2tau[1] = 0.0e0; in func_pol()
2236 v3lapl2tau[2] = 0.0e0; in func_pol()
2239 v3lapl2tau[3] = 0.0e0; in func_pol()
2242 v3lapl2tau[4] = 0.0e0; in func_pol()
2247 v3lapl2tau[5] = -0.3e1 / 0.8e1 * t145 * t1288; in func_pol()
H A Dmgga_c_cs.c234 v3lapl2tau[0] = 0.0e0; in func_unpol()
495 v3lapl2tau[0] = 0.0e0; in func_ferr()
2096 v3lapl2tau[0] = 0.0e0; in func_pol()
2099 v3lapl2tau[1] = 0.0e0; in func_pol()
2102 v3lapl2tau[2] = 0.0e0; in func_pol()
2105 v3lapl2tau[3] = 0.0e0; in func_pol()
2108 v3lapl2tau[4] = 0.0e0; in func_pol()
2111 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_2d_js17.c281 v3lapl2tau[0] = 0.0e0; in func_unpol()
692 v3lapl2tau[0] = 0.0e0; in func_ferr()
2275 v3lapl2tau[0] = 0.0e0; in func_pol()
2278 v3lapl2tau[1] = 0.0e0; in func_pol()
2281 v3lapl2tau[2] = 0.0e0; in func_pol()
2284 v3lapl2tau[3] = 0.0e0; in func_pol()
2287 v3lapl2tau[4] = 0.0e0; in func_pol()
2290 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_gvt4.c420 v3lapl2tau[0] = 0.0e0; in func_unpol()
1019 v3lapl2tau[0] = 0.0e0; in func_ferr()
2846 v3lapl2tau[0] = 0.0e0; in func_pol()
2849 v3lapl2tau[1] = 0.0e0; in func_pol()
2852 v3lapl2tau[2] = 0.0e0; in func_pol()
2855 v3lapl2tau[3] = 0.0e0; in func_pol()
2858 v3lapl2tau[4] = 0.0e0; in func_pol()
2861 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_pkzb.c357 v3lapl2tau[0] = 0.0e0; in func_unpol()
846 v3lapl2tau[0] = 0.0e0; in func_ferr()
2731 v3lapl2tau[0] = 0.0e0; in func_pol()
2734 v3lapl2tau[1] = 0.0e0; in func_pol()
2737 v3lapl2tau[2] = 0.0e0; in func_pol()
2740 v3lapl2tau[3] = 0.0e0; in func_pol()
2743 v3lapl2tau[4] = 0.0e0; in func_pol()
2746 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_dldf.c373 v3lapl2tau[0] = 0.0e0; in func_unpol()
873 v3lapl2tau[0] = 0.0e0; in func_ferr()
2916 v3lapl2tau[0] = 0.0e0; in func_pol()
2919 v3lapl2tau[1] = 0.0e0; in func_pol()
2922 v3lapl2tau[2] = 0.0e0; in func_pol()
2925 v3lapl2tau[3] = 0.0e0; in func_pol()
2928 v3lapl2tau[4] = 0.0e0; in func_pol()
2931 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_xc_cc06.c328 v3lapl2tau[0] = 0.0e0; in func_unpol()
793 v3lapl2tau[0] = 0.0e0; in func_ferr()
2701 v3lapl2tau[0] = 0.0e0; in func_pol()
2704 v3lapl2tau[1] = 0.0e0; in func_pol()
2707 v3lapl2tau[2] = 0.0e0; in func_pol()
2710 v3lapl2tau[3] = 0.0e0; in func_pol()
2713 v3lapl2tau[4] = 0.0e0; in func_pol()
2716 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_tau_hcth.c463 v3lapl2tau[0] = 0.0e0; in func_unpol()
1094 v3lapl2tau[0] = 0.0e0; in func_ferr()
3032 v3lapl2tau[0] = 0.0e0; in func_pol()
3035 v3lapl2tau[1] = 0.0e0; in func_pol()
3038 v3lapl2tau[2] = 0.0e0; in func_pol()
3041 v3lapl2tau[3] = 0.0e0; in func_pol()
3044 v3lapl2tau[4] = 0.0e0; in func_pol()
3047 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_gx.c817 v3lapl2tau[0] = 0.0e0; in func_unpol()
1941 v3lapl2tau[0] = 0.0e0; in func_ferr()
4577 v3lapl2tau[0] = 0.0e0; in func_pol()
4580 v3lapl2tau[1] = 0.0e0; in func_pol()
4583 v3lapl2tau[2] = 0.0e0; in func_pol()
4586 v3lapl2tau[3] = 0.0e0; in func_pol()
4589 v3lapl2tau[4] = 0.0e0; in func_pol()
4592 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_m05.c710 v3lapl2tau[0] = 0.0e0; in func_unpol()
1746 v3lapl2tau[0] = 0.0e0; in func_ferr()
4648 v3lapl2tau[0] = 0.0e0; in func_pol()
4651 v3lapl2tau[1] = 0.0e0; in func_pol()
4654 v3lapl2tau[2] = 0.0e0; in func_pol()
4657 v3lapl2tau[3] = 0.0e0; in func_pol()
4660 v3lapl2tau[4] = 0.0e0; in func_pol()
4663 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_mvs.c647 v3lapl2tau[0] = 0.0e0; in func_unpol()
1519 v3lapl2tau[0] = 0.0e0; in func_ferr()
4464 v3lapl2tau[0] = 0.0e0; in func_pol()
4467 v3lapl2tau[1] = 0.0e0; in func_pol()
4470 v3lapl2tau[2] = 0.0e0; in func_pol()
4473 v3lapl2tau[3] = 0.0e0; in func_pol()
4476 v3lapl2tau[4] = 0.0e0; in func_pol()
4479 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_pbe_gx.c880 v3lapl2tau[0] = 0.0e0; in func_unpol()
2049 v3lapl2tau[0] = 0.0e0; in func_ferr()
5369 v3lapl2tau[0] = 0.0e0; in func_pol()
5372 v3lapl2tau[1] = 0.0e0; in func_pol()
5375 v3lapl2tau[2] = 0.0e0; in func_pol()
5378 v3lapl2tau[3] = 0.0e0; in func_pol()
5381 v3lapl2tau[4] = 0.0e0; in func_pol()
5384 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_m06l.c933 v3lapl2tau[0] = 0.0e0; in func_unpol()
2272 v3lapl2tau[0] = 0.0e0; in func_ferr()
5385 v3lapl2tau[0] = 0.0e0; in func_pol()
5388 v3lapl2tau[1] = 0.0e0; in func_pol()
5391 v3lapl2tau[2] = 0.0e0; in func_pol()
5394 v3lapl2tau[3] = 0.0e0; in func_pol()
5397 v3lapl2tau[4] = 0.0e0; in func_pol()
5400 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_mvsb.c805 v3lapl2tau[0] = 0.0e0; in func_unpol()
1901 v3lapl2tau[0] = 0.0e0; in func_ferr()
5257 v3lapl2tau[0] = 0.0e0; in func_pol()
5260 v3lapl2tau[1] = 0.0e0; in func_pol()
5263 v3lapl2tau[2] = 0.0e0; in func_pol()
5266 v3lapl2tau[3] = 0.0e0; in func_pol()
5269 v3lapl2tau[4] = 0.0e0; in func_pol()
5272 v3lapl2tau[5] = 0.0e0; in func_pol()
H A Dmgga_x_ms.c915 v3lapl2tau[0] = 0.0e0; in func_unpol()
2254 v3lapl2tau[0] = 0.0e0; in func_ferr()
5282 v3lapl2tau[0] = 0.0e0; in func_pol()
5285 v3lapl2tau[1] = 0.0e0; in func_pol()
5288 v3lapl2tau[2] = 0.0e0; in func_pol()
5291 v3lapl2tau[3] = 0.0e0; in func_pol()
5294 v3lapl2tau[4] = 0.0e0; in func_pol()
5297 v3lapl2tau[5] = 0.0e0; in func_pol()

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