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Searched refs:v3rhotau2 (Results 1 – 25 of 73) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c99 assert(v3rhotau2 != NULL); in xc_mgga()
122 libxc_memset(v3rhotau2, 0, dim->v3rhotau2 *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()
304 dim->v3rhotau2 = 2*3; in internal_counters_set_mgga()
564 *v3rhotau2 += pos*dim->v3rhotau2 + offset; in internal_counters_mgga_random()
658 *v3rhotau2 += dim->v3rhotau2 + offset; in internal_counters_mgga_next()
752 *v3rhotau2 -= dim->v3rhotau2 + 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.h100 P_ v3rhotau2, P_ v3sigma3, P_ v3sigma2lapl, P_ v3sigma2tau, \
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.c223 v3rhotau2_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3rhotau2); in xc_mix_func()
383 sum_var(v3rhotau2); 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.c172 v3rhotau2[0] = 0.0e0; in func_unpol()
487 v3rhotau2[0] = 0.0e0; in func_ferr()
1408 v3rhotau2[0] = 0.0e0; in func_pol()
1411 v3rhotau2[1] = 0.0e0; in func_pol()
1414 v3rhotau2[2] = 0.0e0; in func_pol()
1417 v3rhotau2[3] = 0.0e0; in func_pol()
1420 v3rhotau2[4] = 0.0e0; in func_pol()
1423 v3rhotau2[5] = 0.0e0; in func_pol()
H A Dmgga_xc_zlp.c201 v3rhotau2[0] = 0.0e0; in func_unpol()
547 v3rhotau2[0] = 0.0e0; in func_ferr()
1504 v3rhotau2[0] = 0.0e0; in func_pol()
1507 v3rhotau2[1] = 0.0e0; in func_pol()
1510 v3rhotau2[2] = 0.0e0; in func_pol()
1513 v3rhotau2[3] = 0.0e0; in func_pol()
1516 v3rhotau2[4] = 0.0e0; in func_pol()
1519 v3rhotau2[5] = 0.0e0; in func_pol()
H A Dmgga_x_gdme.c187 v3rhotau2[0] = 0.0e0; in func_unpol()
516 v3rhotau2[0] = 0.0e0; in func_ferr()
1749 v3rhotau2[0] = 0.0e0; in func_pol()
1752 v3rhotau2[1] = 0.0e0; in func_pol()
1755 v3rhotau2[2] = 0.0e0; in func_pol()
1758 v3rhotau2[3] = 0.0e0; in func_pol()
1761 v3rhotau2[4] = 0.0e0; in func_pol()
1764 v3rhotau2[5] = 0.0e0; in func_pol()
H A Dmgga_x_lta.c185 v3rhotau2[0] = -0.9e1 / 0.16e2 * t63 * t73 + 0.5e1 / 0.16e2 * t63 * t108 + t63 * t76 / 0.4e1; in func_unpol()
515 v3rhotau2[0] = -0.9e1 / 0.8e1 * t28 * t66 + 0.5e1 / 0.8e1 * t28 * t100 + t28 * t69 / 0.2e1; in func_ferr()
1728 …v3rhotau2[0] = -t896 / 0.2e1 - t113 * t899 / 0.2e1 + 0.5e1 / 0.8e1 * t113 * t904 + t907 / 0.2e1 + … in func_pol()
1731 v3rhotau2[1] = 0.0e0; in func_pol()
1738 v3rhotau2[2] = -t113 * t919 / 0.2e1 + t113 * t923 / 0.2e1 - t917 / 0.2e1 + t921 / 0.2e1; in func_pol()
1743 v3rhotau2[3] = -t113 * t927 / 0.2e1 + t113 * t930 / 0.2e1 - t896 / 0.2e1 + t907 / 0.2e1; in func_pol()
1746 v3rhotau2[4] = 0.0e0; in func_pol()
1754 …v3rhotau2[5] = -t917 / 0.2e1 - t113 * t935 / 0.2e1 + 0.5e1 / 0.8e1 * t113 * t940 + t921 / 0.2e1 + … in func_pol()
H A Dmgga_x_rlda.c246 v3rhotau2[0] = -t109 * t152 / 0.4e1 - 0.3e1 / 0.16e2 * t40 * t265; in func_unpol()
674 v3rhotau2[0] = -t98 * t143 / 0.2e1 - 0.3e1 / 0.8e1 * t34 * t254; in func_ferr()
1990 v3rhotau2[0] = -t1227 / 0.2e1 - t145 * t1230 / 0.2e1 - 0.3e1 / 0.8e1 * t145 * t1237; in func_pol()
1993 v3rhotau2[1] = 0.0e0; in func_pol()
1998 v3rhotau2[2] = -t145 * t1242 / 0.2e1 - t1240 / 0.2e1; in func_pol()
2002 v3rhotau2[3] = -t145 * t1246 / 0.2e1 - t1227 / 0.2e1; in func_pol()
2005 v3rhotau2[4] = 0.0e0; in func_pol()
2011 v3rhotau2[5] = -t1240 / 0.2e1 - t145 * t1251 / 0.2e1 - 0.3e1 / 0.8e1 * t145 * t1258; in func_pol()
H A Dmgga_c_cs.c210 v3rhotau2[0] = 0.0e0; in func_unpol()
471 v3rhotau2[0] = 0.0e0; in func_ferr()
1874 v3rhotau2[0] = 0.0e0; in func_pol()
1877 v3rhotau2[1] = 0.0e0; in func_pol()
1880 v3rhotau2[2] = 0.0e0; in func_pol()
1883 v3rhotau2[3] = 0.0e0; in func_pol()
1886 v3rhotau2[4] = 0.0e0; in func_pol()
1889 v3rhotau2[5] = 0.0e0; in func_pol()
H A Dmgga_x_2d_js17.c252 v3rhotau2[0] = 0.0e0; in func_unpol()
664 v3rhotau2[0] = 0.0e0; in func_ferr()
2037 v3rhotau2[0] = 0.0e0; in func_pol()
2040 v3rhotau2[1] = 0.0e0; in func_pol()
2043 v3rhotau2[2] = 0.0e0; in func_pol()
2046 v3rhotau2[3] = 0.0e0; in func_pol()
2049 v3rhotau2[4] = 0.0e0; in func_pol()
2052 v3rhotau2[5] = 0.0e0; in func_pol()
H A Dmgga_x_gvt4.c377 v3rhotau2[0] = 0.2e1 / 0.3e1 * t5 * t300 + t59 * t587 / 0.2e1; in func_unpol()
976 v3rhotau2[0] = 0.4e1 / 0.3e1 * t2 * t265 + t50 * t538; in func_ferr()
2579 v3rhotau2[0] = 0.4e1 / 0.3e1 * t1629 + 0.4e1 / 0.3e1 * t493 * t1631 + t218 * t1654; in func_pol()
2582 v3rhotau2[1] = 0.0e0; in func_pol()
2587 v3rhotau2[2] = 0.4e1 / 0.3e1 * t528 * t1657 + 0.4e1 / 0.3e1 * t1656; in func_pol()
2591 v3rhotau2[3] = 0.4e1 / 0.3e1 * t493 * t1660 + 0.4e1 / 0.3e1 * t1629; in func_pol()
2594 v3rhotau2[4] = 0.0e0; in func_pol()
2601 v3rhotau2[5] = 0.4e1 / 0.3e1 * t1656 + 0.4e1 / 0.3e1 * t528 * t1664 + t231 * t1687; in func_pol()
H A Dmgga_x_pkzb.c321 …v3rhotau2[0] = 0.32320800000000000000e0 * t177 * t242 - 0.72721800000000000000e0 * t181 * t420 + 0… in func_unpol()
812 …v3rhotau2[0] = 0.64641600000000000000e0 * t166 * t221 - 0.14544360000000000000e1 * t59 * t396 + 0.… in func_ferr()
2453 …v3rhotau2[0] = t1661 + 0.64641600000000000000e0 * t498 * t1663 - 0.14544360000000000000e1 * t498 *… in func_pol()
2456 v3rhotau2[1] = 0.0e0; in func_pol()
2465 …v3rhotau2[2] = t1687 + 0.64641600000000000000e0 * t498 * t1689 - t1693 - 0.29128622222222222223e-2… in func_pol()
2472 …v3rhotau2[3] = t1661 + 0.64641600000000000000e0 * t498 * t1700 - t1675 - 0.29128622222222222223e-2… in func_pol()
2475 v3rhotau2[4] = 0.0e0; in func_pol()
2488 …v3rhotau2[5] = t1687 + 0.64641600000000000000e0 * t498 * t1708 - 0.14544360000000000000e1 * t498 *… in func_pol()
H A Dhyb_mgga_x_dldf.c343 …v3rhotau2[0] = -0.96396775000000000000e-1 * t223 * t283 + 0.13448806503338709277e0 * t69 * t489 - … in func_unpol()
844 …v3rhotau2[0] = -0.19279355000000000000e0 * t206 * t261 + 0.13448806503338709277e0 * t63 * t461 - 0… in func_ferr()
2674 …v3rhotau2[0] = -t2050 - 0.19279355000000000000e0 * t644 * t2052 + 0.13448806503338709277e0 * t236 … in func_pol()
2677 v3rhotau2[1] = 0.0e0; in func_pol()
2682 v3rhotau2[2] = -t2087 - 0.19279355000000000000e0 * t644 * t2089; in func_pol()
2687 v3rhotau2[3] = -t2050 - 0.19279355000000000000e0 * t644 * t2093; in func_pol()
2690 v3rhotau2[4] = 0.0e0; in func_pol()
2701 …v3rhotau2[5] = -t2087 - 0.19279355000000000000e0 * t644 * t2097 + 0.13448806503338709277e0 * t243 … in func_pol()
H A Dmgga_xc_cc06.c302 v3rhotau2[0] = 0.0e0; in func_unpol()
767 v3rhotau2[0] = 0.0e0; in func_ferr()
2458 v3rhotau2[0] = 0.0e0; in func_pol()
2461 v3rhotau2[1] = 0.0e0; in func_pol()
2464 v3rhotau2[2] = 0.0e0; in func_pol()
2467 v3rhotau2[3] = 0.0e0; in func_pol()
2470 v3rhotau2[4] = 0.0e0; in func_pol()
2473 v3rhotau2[5] = 0.0e0; in func_pol()
H A Dmgga_x_tau_hcth.c434 … v3rhotau2[0] = -t367 * t532 / 0.4e1 - 0.3e1 / 0.16e2 * t103 * t889 - 0.3e1 / 0.16e2 * t103 * t921; in func_unpol()
1064 v3rhotau2[0] = -t399 * t505 / 0.2e1 - 0.3e1 / 0.8e1 * t215 * t854 - 0.3e1 / 0.8e1 * t215 * t884; in func_ferr()
2785 …v3rhotau2[0] = -t2454 / 0.2e1 - t969 * t2457 / 0.2e1 - 0.3e1 / 0.8e1 * t377 * t2461 - 0.3e1 / 0.8e… in func_pol()
2788 v3rhotau2[1] = 0.0e0; in func_pol()
2794 v3rhotau2[2] = -t969 * t2497 / 0.2e1 - t2495 / 0.2e1; in func_pol()
2799 v3rhotau2[3] = -t969 * t2501 / 0.2e1 - t2454 / 0.2e1; in func_pol()
2802 v3rhotau2[4] = 0.0e0; in func_pol()
2813 …v3rhotau2[5] = -t2495 / 0.2e1 - t969 * t2506 / 0.2e1 - 0.3e1 / 0.8e1 * t377 * t2510 - 0.3e1 / 0.8e… in func_pol()
H A Dmgga_x_gx.c720 v3rhotau2[0] = -t297 * t556 / 0.4e1 - 0.3e1 / 0.16e2 * t73 * t1189; in func_unpol()
1854 v3rhotau2[0] = -t278 * t513 / 0.2e1 - 0.3e1 / 0.8e1 * t68 * t1119; in func_ferr()
4210 v3rhotau2[0] = -t2827 / 0.2e1 - t275 * t2830 / 0.2e1 - 0.3e1 / 0.8e1 * t275 * t2891; in func_pol()
4213 v3rhotau2[1] = 0.0e0; in func_pol()
4218 v3rhotau2[2] = -t275 * t2896 / 0.2e1 - t2894 / 0.2e1; in func_pol()
4222 v3rhotau2[3] = -t275 * t2900 / 0.2e1 - t2827 / 0.2e1; in func_pol()
4225 v3rhotau2[4] = 0.0e0; in func_pol()
4242 v3rhotau2[5] = -t2894 / 0.2e1 - t275 * t2905 / 0.2e1 - 0.3e1 / 0.8e1 * t275 * t2966; in func_pol()
H A Dhyb_mgga_x_m05.c681 …v3rhotau2[0] = -t526 * t777 / 0.4e1 + 0.59124162764395035716e-2 * t117 * t1399 - 0.3e1 / 0.16e2 * … in func_unpol()
1717 …v3rhotau2[0] = -t505 * t763 / 0.2e1 + 0.59124162764395035716e-2 * t112 * t1425 - 0.3e1 / 0.8e1 * t… in func_ferr()
4381 …v3rhotau2[0] = -t3933 / 0.2e1 - t466 * t3936 / 0.2e1 + 0.59124162764395035716e-2 * t1171 * t3940 -… in func_pol()
4384 v3rhotau2[1] = 0.0e0; in func_pol()
4389 v3rhotau2[2] = -t466 * t4130 / 0.2e1 - t4128 / 0.2e1; in func_pol()
4393 v3rhotau2[3] = -t466 * t4134 / 0.2e1 - t3933 / 0.2e1; in func_pol()
4396 v3rhotau2[4] = 0.0e0; in func_pol()
4433 …v3rhotau2[5] = -t4128 / 0.2e1 - t466 * t4139 / 0.2e1 + 0.59124162764395035716e-2 * t1209 * t4143 -… in func_pol()
H A Dmgga_x_mvs.c580 v3rhotau2[0] = -t263 * t459 / 0.4e1 - 0.3e1 / 0.16e2 * t79 * t947 - t951 * t124 / 0.1152e4; in func_unpol()
1461 v3rhotau2[0] = -t249 * t440 / 0.2e1 - 0.3e1 / 0.8e1 * t73 * t919 - t923 * t117 / 0.2304e4; in func_ferr()
4138 …v3rhotau2[0] = -t2960 / 0.2e1 - t856 * t2963 / 0.2e1 - 0.3e1 / 0.8e1 * t321 * t3003 - t3007 * t195… in func_pol()
4141 v3rhotau2[1] = 0.0e0; in func_pol()
4147 v3rhotau2[2] = -t856 * t3012 / 0.2e1 - t3010 / 0.2e1; in func_pol()
4151 v3rhotau2[3] = -t856 * t3015 / 0.2e1 - t2960 / 0.2e1; in func_pol()
4154 v3rhotau2[4] = 0.0e0; in func_pol()
4169 …v3rhotau2[5] = -t3010 / 0.2e1 - t856 * t3019 / 0.2e1 - 0.3e1 / 0.8e1 * t321 * t3059 - t3063 * t266… in func_pol()
H A Dmgga_x_pbe_gx.c777 …v3rhotau2[0] = -t325 * t615 / 0.4e1 - 0.3e1 / 0.16e2 * t70 * t1341 - 0.10155490000000000000e-2 * t… in func_unpol()
1955 …v3rhotau2[0] = -t304 * t558 / 0.2e1 - 0.3e1 / 0.8e1 * t66 * t1241 - 0.10155490000000000000e-2 * t1… in func_ferr()
4989 …v3rhotau2[0] = -t3585 / 0.2e1 - t1000 * t3588 / 0.2e1 - 0.3e1 / 0.8e1 * t358 * t3648 - 0.101554900… in func_pol()
4992 v3rhotau2[1] = 0.0e0; in func_pol()
4998 v3rhotau2[2] = -t1000 * t3657 / 0.2e1 - t3655 / 0.2e1; in func_pol()
5002 v3rhotau2[3] = -t1000 * t3660 / 0.2e1 - t3585 / 0.2e1; in func_pol()
5005 v3rhotau2[4] = 0.0e0; in func_pol()
5022 …v3rhotau2[5] = -t3655 / 0.2e1 - t1000 * t3664 / 0.2e1 - 0.3e1 / 0.8e1 * t358 * t3724 - 0.101554900… in func_pol()
H A Dmgga_x_m06l.c875 v3rhotau2[0] = -t664 * t1052 / 0.4e1 - 0.3e1 / 0.16e2 * t155 * t2184; in func_unpol()
2214 v3rhotau2[0] = -t632 * t1025 / 0.2e1 - 0.3e1 / 0.8e1 * t146 * t2171; in func_ferr()
5051 v3rhotau2[0] = -t4617 / 0.2e1 - t581 * t4620 / 0.2e1 - 0.3e1 / 0.8e1 * t581 * t4836; in func_pol()
5054 v3rhotau2[1] = 0.0e0; in func_pol()
5059 v3rhotau2[2] = -t581 * t4841 / 0.2e1 - t4839 / 0.2e1; in func_pol()
5063 v3rhotau2[3] = -t581 * t4845 / 0.2e1 - t4617 / 0.2e1; in func_pol()
5066 v3rhotau2[4] = 0.0e0; in func_pol()
5104 v3rhotau2[5] = -t4839 / 0.2e1 - t581 * t4850 / 0.2e1 - 0.3e1 / 0.8e1 * t581 * t5066; in func_pol()
H A Dmgga_x_mvsb.c732 v3rhotau2[0] = -t321 * t604 / 0.4e1 - 0.3e1 / 0.16e2 * t77 * t1383 - t1387 * t137 / 0.1152e4; in func_unpol()
1828 v3rhotau2[0] = -t310 * t588 / 0.2e1 - 0.3e1 / 0.8e1 * t71 * t1365 - t1369 * t132 / 0.2304e4; in func_ferr()
4886 …v3rhotau2[0] = -t3748 / 0.2e1 - t1002 * t3751 / 0.2e1 - 0.3e1 / 0.8e1 * t356 * t3847 - t3851 * t21… in func_pol()
4889 v3rhotau2[1] = 0.0e0; in func_pol()
4895 v3rhotau2[2] = -t1002 * t3856 / 0.2e1 - t3854 / 0.2e1; in func_pol()
4899 v3rhotau2[3] = -t1002 * t3859 / 0.2e1 - t3748 / 0.2e1; in func_pol()
4902 v3rhotau2[4] = 0.0e0; in func_pol()
4930 …v3rhotau2[5] = -t3854 / 0.2e1 - t1002 * t3863 / 0.2e1 - 0.3e1 / 0.8e1 * t356 * t3959 - t3963 * t29… in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c310 v3rhotau2[0] = -t379 * t33 / 0.2e1; in func_unpol()
914 v3rhotau2[0] = -t347 * t30; in func_ferr()
1957 v3rhotau2[0] = -t676 * t30; in func_pol()
1960 v3rhotau2[1] = 0.0e0; in func_pol()
1963 v3rhotau2[2] = 0.0e0; in func_pol()
1966 v3rhotau2[3] = 0.0e0; in func_pol()
1969 v3rhotau2[4] = 0.0e0; in func_pol()
1977 v3rhotau2[5] = -t692 * t58; in func_pol()

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