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Searched refs:v3rholapltau (Results 1 – 25 of 73) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c109 assert(v3rholapltau != NULL); in xc_mgga()
132 libxc_memset(v3rholapltau, 0, dim->v3rholapltau *np*sizeof(double)); in xc_mgga()
307 … double *v3rholapl2, double *v3rholapltau, double *v3rhotau2, double *v3sigma3, in xc_mgga_exc_vxc_fxc_kxc() argument
315 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, in xc_mgga_exc_vxc_fxc_kxc()
333 … double *v3rholapl2, double *v3rholapltau, double *v3rhotau2, double *v3sigma3, in xc_mgga_vxc_fxc_kxc() argument
341 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, in xc_mgga_vxc_fxc_kxc()
391 double *v3rholapl2, double *v3rholapltau, double *v3rhotau2, in xc_mgga_kxc() argument
399 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, in xc_mgga_kxc()
H A Dutil.c274 dim->v3rhotau2 = dim->v3lapl2tau = dim->v3lapltau2 = dim->v3rholapltau = 1; in internal_counters_set_mgga()
303 dim->v3rholapltau = 2*2*2; in internal_counters_set_mgga()
554 *v3rholapltau += pos*dim->v3rholapltau + offset; in internal_counters_mgga_random()
648 *v3rholapltau += dim->v3rholapltau + offset; in internal_counters_mgga_next()
742 *v3rholapltau -= dim->v3rholapltau + offset; in internal_counters_mgga_prev()
H A Dlibxc_master.F90613 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
678 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
719 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
749 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1315 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
1350 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1402 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
1421 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1455 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
1474 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
[all …]
H A Dxc.h99 P_ v3rhosigmalapl, P_ v3rhosigmatau, P_ v3rholapl2, P_ v3rholapltau, \
318 … double *v3rholapl2, double *v3rholapltau, double *v3rhotau2, double *v3sigma3,
335 … double *v3rholapl2, double *v3rholapltau, double *v3rhotau2, double *v3sigma3,
347 double *v3rholapl2, double *v3rholapltau, double *v3rhotau2, double *v3sigma3,
H A Dmix_func.c222 v3rholapltau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3rholapltau); in xc_mix_func()
373 sum_var(v3rholapltau); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901208 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1273 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1314 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1344 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1962 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
1997 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
2049 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
2068 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
2102 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
2121 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c169 v3rholapltau[0] = 0.0e0; in func_unpol()
484 v3rholapltau[0] = 0.0e0; in func_ferr()
1384 v3rholapltau[0] = 0.0e0; in func_pol()
1387 v3rholapltau[1] = 0.0e0; in func_pol()
1390 v3rholapltau[2] = 0.0e0; in func_pol()
1393 v3rholapltau[3] = 0.0e0; in func_pol()
1396 v3rholapltau[4] = 0.0e0; in func_pol()
1399 v3rholapltau[5] = 0.0e0; in func_pol()
1402 v3rholapltau[6] = 0.0e0; in func_pol()
1405 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_xc_zlp.c198 v3rholapltau[0] = 0.0e0; in func_unpol()
544 v3rholapltau[0] = 0.0e0; in func_ferr()
1480 v3rholapltau[0] = 0.0e0; in func_pol()
1483 v3rholapltau[1] = 0.0e0; in func_pol()
1486 v3rholapltau[2] = 0.0e0; in func_pol()
1489 v3rholapltau[3] = 0.0e0; in func_pol()
1492 v3rholapltau[4] = 0.0e0; in func_pol()
1495 v3rholapltau[5] = 0.0e0; in func_pol()
1498 v3rholapltau[6] = 0.0e0; in func_pol()
1501 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_gdme.c184 v3rholapltau[0] = 0.0e0; in func_unpol()
513 v3rholapltau[0] = 0.0e0; in func_ferr()
1725 v3rholapltau[0] = 0.0e0; in func_pol()
1728 v3rholapltau[1] = 0.0e0; in func_pol()
1731 v3rholapltau[2] = 0.0e0; in func_pol()
1734 v3rholapltau[3] = 0.0e0; in func_pol()
1737 v3rholapltau[4] = 0.0e0; in func_pol()
1740 v3rholapltau[5] = 0.0e0; in func_pol()
1743 v3rholapltau[6] = 0.0e0; in func_pol()
1746 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_lta.c181 v3rholapltau[0] = 0.0e0; in func_unpol()
511 v3rholapltau[0] = 0.0e0; in func_ferr()
1697 v3rholapltau[0] = 0.0e0; in func_pol()
1700 v3rholapltau[1] = 0.0e0; in func_pol()
1703 v3rholapltau[2] = 0.0e0; in func_pol()
1706 v3rholapltau[3] = 0.0e0; in func_pol()
1709 v3rholapltau[4] = 0.0e0; in func_pol()
1712 v3rholapltau[5] = 0.0e0; in func_pol()
1715 v3rholapltau[6] = 0.0e0; in func_pol()
1718 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_rlda.c241 v3rholapltau[0] = -t109 * t147 / 0.4e1 - 0.3e1 / 0.16e2 * t40 * t256; in func_unpol()
669 v3rholapltau[0] = -t98 * t138 / 0.2e1 - 0.3e1 / 0.8e1 * t34 * t245; in func_ferr()
1956 v3rholapltau[0] = -t1193 / 0.2e1 - t145 * t1196 / 0.2e1 - 0.3e1 / 0.8e1 * t145 * t1203; in func_pol()
1959 v3rholapltau[1] = 0.0e0; in func_pol()
1962 v3rholapltau[2] = 0.0e0; in func_pol()
1967 v3rholapltau[3] = -t145 * t1208 / 0.2e1 - t1206 / 0.2e1; in func_pol()
1971 v3rholapltau[4] = -t145 * t1212 / 0.2e1 - t1193 / 0.2e1; in func_pol()
1974 v3rholapltau[5] = 0.0e0; in func_pol()
1977 v3rholapltau[6] = 0.0e0; in func_pol()
1983 v3rholapltau[7] = -t1206 / 0.2e1 - t145 * t1217 / 0.2e1 - 0.3e1 / 0.8e1 * t145 * t1224; in func_pol()
H A Dmgga_c_cs.c207 v3rholapltau[0] = 0.0e0; in func_unpol()
468 v3rholapltau[0] = 0.0e0; in func_ferr()
1850 v3rholapltau[0] = 0.0e0; in func_pol()
1853 v3rholapltau[1] = 0.0e0; in func_pol()
1856 v3rholapltau[2] = 0.0e0; in func_pol()
1859 v3rholapltau[3] = 0.0e0; in func_pol()
1862 v3rholapltau[4] = 0.0e0; in func_pol()
1865 v3rholapltau[5] = 0.0e0; in func_pol()
1868 v3rholapltau[6] = 0.0e0; in func_pol()
1871 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_2d_js17.c249 v3rholapltau[0] = 0.0e0; in func_unpol()
661 v3rholapltau[0] = 0.0e0; in func_ferr()
2013 v3rholapltau[0] = 0.0e0; in func_pol()
2016 v3rholapltau[1] = 0.0e0; in func_pol()
2019 v3rholapltau[2] = 0.0e0; in func_pol()
2022 v3rholapltau[3] = 0.0e0; in func_pol()
2025 v3rholapltau[4] = 0.0e0; in func_pol()
2028 v3rholapltau[5] = 0.0e0; in func_pol()
2031 v3rholapltau[6] = 0.0e0; in func_pol()
2034 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_gvt4.c372 v3rholapltau[0] = 0.0e0; in func_unpol()
970 v3rholapltau[0] = 0.0e0; in func_ferr()
2550 v3rholapltau[0] = 0.0e0; in func_pol()
2553 v3rholapltau[1] = 0.0e0; in func_pol()
2556 v3rholapltau[2] = 0.0e0; in func_pol()
2559 v3rholapltau[3] = 0.0e0; in func_pol()
2562 v3rholapltau[4] = 0.0e0; in func_pol()
2565 v3rholapltau[5] = 0.0e0; in func_pol()
2568 v3rholapltau[6] = 0.0e0; in func_pol()
2571 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_pkzb.c315 v3rholapltau[0] = 0.0e0; in func_unpol()
806 v3rholapltau[0] = 0.0e0; in func_ferr()
2418 v3rholapltau[0] = 0.0e0; in func_pol()
2421 v3rholapltau[1] = 0.0e0; in func_pol()
2424 v3rholapltau[2] = 0.0e0; in func_pol()
2427 v3rholapltau[3] = 0.0e0; in func_pol()
2430 v3rholapltau[4] = 0.0e0; in func_pol()
2433 v3rholapltau[5] = 0.0e0; in func_pol()
2436 v3rholapltau[6] = 0.0e0; in func_pol()
2439 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_dldf.c335 v3rholapltau[0] = 0.0e0; in func_unpol()
836 v3rholapltau[0] = 0.0e0; in func_ferr()
2642 v3rholapltau[0] = 0.0e0; in func_pol()
2645 v3rholapltau[1] = 0.0e0; in func_pol()
2648 v3rholapltau[2] = 0.0e0; in func_pol()
2651 v3rholapltau[3] = 0.0e0; in func_pol()
2654 v3rholapltau[4] = 0.0e0; in func_pol()
2657 v3rholapltau[5] = 0.0e0; in func_pol()
2660 v3rholapltau[6] = 0.0e0; in func_pol()
2663 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_xc_cc06.c299 v3rholapltau[0] = 0.0e0; in func_unpol()
764 v3rholapltau[0] = 0.0e0; in func_ferr()
2434 v3rholapltau[0] = 0.0e0; in func_pol()
2437 v3rholapltau[1] = 0.0e0; in func_pol()
2440 v3rholapltau[2] = 0.0e0; in func_pol()
2443 v3rholapltau[3] = 0.0e0; in func_pol()
2446 v3rholapltau[4] = 0.0e0; in func_pol()
2449 v3rholapltau[5] = 0.0e0; in func_pol()
2452 v3rholapltau[6] = 0.0e0; in func_pol()
2455 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_tau_hcth.c425 v3rholapltau[0] = 0.0e0; in func_unpol()
1055 v3rholapltau[0] = 0.0e0; in func_ferr()
2752 v3rholapltau[0] = 0.0e0; in func_pol()
2755 v3rholapltau[1] = 0.0e0; in func_pol()
2758 v3rholapltau[2] = 0.0e0; in func_pol()
2761 v3rholapltau[3] = 0.0e0; in func_pol()
2764 v3rholapltau[4] = 0.0e0; in func_pol()
2767 v3rholapltau[5] = 0.0e0; in func_pol()
2770 v3rholapltau[6] = 0.0e0; in func_pol()
2773 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_gx.c706 v3rholapltau[0] = 0.0e0; in func_unpol()
1838 v3rholapltau[0] = 0.0e0; in func_ferr()
4171 v3rholapltau[0] = 0.0e0; in func_pol()
4174 v3rholapltau[1] = 0.0e0; in func_pol()
4177 v3rholapltau[2] = 0.0e0; in func_pol()
4180 v3rholapltau[3] = 0.0e0; in func_pol()
4183 v3rholapltau[4] = 0.0e0; in func_pol()
4186 v3rholapltau[5] = 0.0e0; in func_pol()
4189 v3rholapltau[6] = 0.0e0; in func_pol()
4192 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_m05.c636 v3rholapltau[0] = 0.0e0; in func_unpol()
1684 v3rholapltau[0] = 0.0e0; in func_ferr()
4322 v3rholapltau[0] = 0.0e0; in func_pol()
4325 v3rholapltau[1] = 0.0e0; in func_pol()
4328 v3rholapltau[2] = 0.0e0; in func_pol()
4331 v3rholapltau[3] = 0.0e0; in func_pol()
4334 v3rholapltau[4] = 0.0e0; in func_pol()
4337 v3rholapltau[5] = 0.0e0; in func_pol()
4340 v3rholapltau[6] = 0.0e0; in func_pol()
4343 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_mvs.c566 v3rholapltau[0] = 0.0e0; in func_unpol()
1447 v3rholapltau[0] = 0.0e0; in func_ferr()
4100 v3rholapltau[0] = 0.0e0; in func_pol()
4103 v3rholapltau[1] = 0.0e0; in func_pol()
4106 v3rholapltau[2] = 0.0e0; in func_pol()
4109 v3rholapltau[3] = 0.0e0; in func_pol()
4112 v3rholapltau[4] = 0.0e0; in func_pol()
4115 v3rholapltau[5] = 0.0e0; in func_pol()
4118 v3rholapltau[6] = 0.0e0; in func_pol()
4121 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_pbe_gx.c763 v3rholapltau[0] = 0.0e0; in func_unpol()
1939 v3rholapltau[0] = 0.0e0; in func_ferr()
4949 v3rholapltau[0] = 0.0e0; in func_pol()
4952 v3rholapltau[1] = 0.0e0; in func_pol()
4955 v3rholapltau[2] = 0.0e0; in func_pol()
4958 v3rholapltau[3] = 0.0e0; in func_pol()
4961 v3rholapltau[4] = 0.0e0; in func_pol()
4964 v3rholapltau[5] = 0.0e0; in func_pol()
4967 v3rholapltau[6] = 0.0e0; in func_pol()
4970 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_m06l.c826 v3rholapltau[0] = 0.0e0; in func_unpol()
2177 v3rholapltau[0] = 0.0e0; in func_ferr()
4991 v3rholapltau[0] = 0.0e0; in func_pol()
4994 v3rholapltau[1] = 0.0e0; in func_pol()
4997 v3rholapltau[2] = 0.0e0; in func_pol()
5000 v3rholapltau[3] = 0.0e0; in func_pol()
5003 v3rholapltau[4] = 0.0e0; in func_pol()
5006 v3rholapltau[5] = 0.0e0; in func_pol()
5009 v3rholapltau[6] = 0.0e0; in func_pol()
5012 v3rholapltau[7] = 0.0e0; in func_pol()
H A Dmgga_x_mvsb.c706 v3rholapltau[0] = 0.0e0; in func_unpol()
1802 v3rholapltau[0] = 0.0e0; in func_ferr()
4835 v3rholapltau[0] = 0.0e0; in func_pol()
4838 v3rholapltau[1] = 0.0e0; in func_pol()
4841 v3rholapltau[2] = 0.0e0; in func_pol()
4844 v3rholapltau[3] = 0.0e0; in func_pol()
4847 v3rholapltau[4] = 0.0e0; in func_pol()
4850 v3rholapltau[5] = 0.0e0; in func_pol()
4853 v3rholapltau[6] = 0.0e0; in func_pol()
4856 v3rholapltau[7] = 0.0e0; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c302 v3rholapltau[0] = -t361 * t33 / 0.2e1; in func_unpol()
906 v3rholapltau[0] = -t331 * t30; in func_ferr()
1771 v3rholapltau[0] = -t539 * t30; in func_pol()
1774 v3rholapltau[1] = 0.0e0; in func_pol()
1777 v3rholapltau[2] = 0.0e0; in func_pol()
1780 v3rholapltau[3] = 0.0e0; in func_pol()
1783 v3rholapltau[4] = 0.0e0; in func_pol()
1786 v3rholapltau[5] = 0.0e0; in func_pol()
1789 v3rholapltau[6] = 0.0e0; in func_pol()
1799 v3rholapltau[7] = -t556 * t58; in func_pol()

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