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Searched refs:v3rholapl2 (Results 1 – 25 of 73) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c108 assert(v3rholapl2 != NULL); in xc_mgga()
131 libxc_memset(v3rholapl2, 0, dim->v3rholapl2 *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.c273 dim->v3lapl3 = dim->v3tau3 = dim->v3rho2lapl = dim->v3rho2tau = dim->v3rholapl2 = 1; in internal_counters_set_mgga()
302 dim->v3rholapl2 = 2*3; in internal_counters_set_mgga()
553 *v3rholapl2 += pos*dim->v3rholapl2 + offset; in internal_counters_mgga_random()
647 *v3rholapl2 += dim->v3rholapl2 + offset; in internal_counters_mgga_next()
741 *v3rholapl2 -= dim->v3rholapl2 + 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.c221 v3rholapl2_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3rholapl2); in xc_mix_func()
372 sum_var(v3rholapl2); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901208 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1227 v3rhosigma2(*), v3rhosigmalapl(*), v3rhosigmatau(*), v3rholapl2(*), & local
1273 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, &
1284 v3rhosigma2(*), v3rhosigmalapl(*), v3rhosigmatau(*), v3rholapl2(*), & local
1325 v3rhosigma2(*), v3rhosigmalapl(*), v3rhosigmatau(*), v3rholapl2(*), & local
1352 v3rhosigma2(*), v3rhosigmalapl(*), v3rhosigmatau(*), v3rholapl2(*), & local
1980 v3rhosigma2(*), v3rhosigmalapl(*), v3rhosigmatau(*), v3rholapl2(*), & local
2059 v3rhosigma2(*), v3rhosigmalapl(*), v3rhosigmatau(*), v3rholapl2(*), & local
2112 v3rhosigma2(*), v3rhosigmalapl(*), v3rhosigmatau(*), v3rholapl2(*), & local
2143 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, & argument
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c166 v3rholapl2[0] = 0.0e0; in func_unpol()
481 v3rholapl2[0] = 0.0e0; in func_ferr()
1366 v3rholapl2[0] = 0.0e0; in func_pol()
1369 v3rholapl2[1] = 0.0e0; in func_pol()
1372 v3rholapl2[2] = 0.0e0; in func_pol()
1375 v3rholapl2[3] = 0.0e0; in func_pol()
1378 v3rholapl2[4] = 0.0e0; in func_pol()
1381 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_xc_zlp.c195 v3rholapl2[0] = 0.0e0; in func_unpol()
541 v3rholapl2[0] = 0.0e0; in func_ferr()
1462 v3rholapl2[0] = 0.0e0; in func_pol()
1465 v3rholapl2[1] = 0.0e0; in func_pol()
1468 v3rholapl2[2] = 0.0e0; in func_pol()
1471 v3rholapl2[3] = 0.0e0; in func_pol()
1474 v3rholapl2[4] = 0.0e0; in func_pol()
1477 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_gdme.c181 v3rholapl2[0] = 0.0e0; in func_unpol()
510 v3rholapl2[0] = 0.0e0; in func_ferr()
1707 v3rholapl2[0] = 0.0e0; in func_pol()
1710 v3rholapl2[1] = 0.0e0; in func_pol()
1713 v3rholapl2[2] = 0.0e0; in func_pol()
1716 v3rholapl2[3] = 0.0e0; in func_pol()
1719 v3rholapl2[4] = 0.0e0; in func_pol()
1722 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_lta.c178 v3rholapl2[0] = 0.0e0; in func_unpol()
508 v3rholapl2[0] = 0.0e0; in func_ferr()
1679 v3rholapl2[0] = 0.0e0; in func_pol()
1682 v3rholapl2[1] = 0.0e0; in func_pol()
1685 v3rholapl2[2] = 0.0e0; in func_pol()
1688 v3rholapl2[3] = 0.0e0; in func_pol()
1691 v3rholapl2[4] = 0.0e0; in func_pol()
1694 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_rlda.c236 v3rholapl2[0] = -t109 * t142 / 0.4e1 - 0.3e1 / 0.16e2 * t40 * t247; in func_unpol()
664 v3rholapl2[0] = -t98 * t133 / 0.2e1 - 0.3e1 / 0.8e1 * t34 * t236; in func_ferr()
1925 v3rholapl2[0] = -t1143 / 0.2e1 - t145 * t1146 / 0.2e1 - 0.3e1 / 0.8e1 * t145 * t1161; in func_pol()
1928 v3rholapl2[1] = 0.0e0; in func_pol()
1933 v3rholapl2[2] = -t145 * t1166 / 0.2e1 - t1164 / 0.2e1; in func_pol()
1937 v3rholapl2[3] = -t145 * t1170 / 0.2e1 - t1143 / 0.2e1; in func_pol()
1940 v3rholapl2[4] = 0.0e0; in func_pol()
1949 v3rholapl2[5] = -t1164 / 0.2e1 - t145 * t1175 / 0.2e1 - 0.3e1 / 0.8e1 * t145 * t1190; in func_pol()
H A Dmgga_c_cs.c204 v3rholapl2[0] = 0.0e0; in func_unpol()
465 v3rholapl2[0] = 0.0e0; in func_ferr()
1832 v3rholapl2[0] = 0.0e0; in func_pol()
1835 v3rholapl2[1] = 0.0e0; in func_pol()
1838 v3rholapl2[2] = 0.0e0; in func_pol()
1841 v3rholapl2[3] = 0.0e0; in func_pol()
1844 v3rholapl2[4] = 0.0e0; in func_pol()
1847 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_2d_js17.c246 v3rholapl2[0] = 0.0e0; in func_unpol()
658 v3rholapl2[0] = 0.0e0; in func_ferr()
1995 v3rholapl2[0] = 0.0e0; in func_pol()
1998 v3rholapl2[1] = 0.0e0; in func_pol()
2001 v3rholapl2[2] = 0.0e0; in func_pol()
2004 v3rholapl2[3] = 0.0e0; in func_pol()
2007 v3rholapl2[4] = 0.0e0; in func_pol()
2010 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_gvt4.c369 v3rholapl2[0] = 0.0e0; in func_unpol()
967 v3rholapl2[0] = 0.0e0; in func_ferr()
2532 v3rholapl2[0] = 0.0e0; in func_pol()
2535 v3rholapl2[1] = 0.0e0; in func_pol()
2538 v3rholapl2[2] = 0.0e0; in func_pol()
2541 v3rholapl2[3] = 0.0e0; in func_pol()
2544 v3rholapl2[4] = 0.0e0; in func_pol()
2547 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_pkzb.c312 v3rholapl2[0] = 0.0e0; in func_unpol()
803 v3rholapl2[0] = 0.0e0; in func_ferr()
2400 v3rholapl2[0] = 0.0e0; in func_pol()
2403 v3rholapl2[1] = 0.0e0; in func_pol()
2406 v3rholapl2[2] = 0.0e0; in func_pol()
2409 v3rholapl2[3] = 0.0e0; in func_pol()
2412 v3rholapl2[4] = 0.0e0; in func_pol()
2415 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_dldf.c332 v3rholapl2[0] = 0.0e0; in func_unpol()
833 v3rholapl2[0] = 0.0e0; in func_ferr()
2624 v3rholapl2[0] = 0.0e0; in func_pol()
2627 v3rholapl2[1] = 0.0e0; in func_pol()
2630 v3rholapl2[2] = 0.0e0; in func_pol()
2633 v3rholapl2[3] = 0.0e0; in func_pol()
2636 v3rholapl2[4] = 0.0e0; in func_pol()
2639 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_xc_cc06.c296 v3rholapl2[0] = t40 * t238 + t87 * t238 + t89 * t406; in func_unpol()
761 v3rholapl2[0] = t37 * t235 + t84 * t235 + t86 * t403; in func_ferr()
2380 v3rholapl2[0] = t232 * t2155 + t230 * t854 + t2127; in func_pol()
2396 v3rholapl2[1] = t232 * t2189 + t230 * t865 + t2157; in func_pol()
2406 v3rholapl2[2] = t232 * t2209 + t230 * t878 + t2191; in func_pol()
2412 v3rholapl2[3] = t232 * t2225 + t276 * t854 + t2127; in func_pol()
2423 v3rholapl2[4] = t232 * t2254 + t276 * t865 + t2157; in func_pol()
2431 v3rholapl2[5] = t232 * t2279 + t276 * t878 + t2191; in func_pol()
H A Dmgga_x_tau_hcth.c422 v3rholapl2[0] = 0.0e0; in func_unpol()
1052 v3rholapl2[0] = 0.0e0; in func_ferr()
2734 v3rholapl2[0] = 0.0e0; in func_pol()
2737 v3rholapl2[1] = 0.0e0; in func_pol()
2740 v3rholapl2[2] = 0.0e0; in func_pol()
2743 v3rholapl2[3] = 0.0e0; in func_pol()
2746 v3rholapl2[4] = 0.0e0; in func_pol()
2749 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_gx.c703 v3rholapl2[0] = 0.0e0; in func_unpol()
1835 v3rholapl2[0] = 0.0e0; in func_ferr()
4153 v3rholapl2[0] = 0.0e0; in func_pol()
4156 v3rholapl2[1] = 0.0e0; in func_pol()
4159 v3rholapl2[2] = 0.0e0; in func_pol()
4162 v3rholapl2[3] = 0.0e0; in func_pol()
4165 v3rholapl2[4] = 0.0e0; in func_pol()
4168 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dhyb_mgga_x_m05.c633 v3rholapl2[0] = 0.0e0; in func_unpol()
1681 v3rholapl2[0] = 0.0e0; in func_ferr()
4304 v3rholapl2[0] = 0.0e0; in func_pol()
4307 v3rholapl2[1] = 0.0e0; in func_pol()
4310 v3rholapl2[2] = 0.0e0; in func_pol()
4313 v3rholapl2[3] = 0.0e0; in func_pol()
4316 v3rholapl2[4] = 0.0e0; in func_pol()
4319 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_mvs.c563 v3rholapl2[0] = 0.0e0; in func_unpol()
1444 v3rholapl2[0] = 0.0e0; in func_ferr()
4082 v3rholapl2[0] = 0.0e0; in func_pol()
4085 v3rholapl2[1] = 0.0e0; in func_pol()
4088 v3rholapl2[2] = 0.0e0; in func_pol()
4091 v3rholapl2[3] = 0.0e0; in func_pol()
4094 v3rholapl2[4] = 0.0e0; in func_pol()
4097 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_pbe_gx.c760 v3rholapl2[0] = 0.0e0; in func_unpol()
1936 v3rholapl2[0] = 0.0e0; in func_ferr()
4931 v3rholapl2[0] = 0.0e0; in func_pol()
4934 v3rholapl2[1] = 0.0e0; in func_pol()
4937 v3rholapl2[2] = 0.0e0; in func_pol()
4940 v3rholapl2[3] = 0.0e0; in func_pol()
4943 v3rholapl2[4] = 0.0e0; in func_pol()
4946 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_m06l.c823 v3rholapl2[0] = 0.0e0; in func_unpol()
2174 v3rholapl2[0] = 0.0e0; in func_ferr()
4973 v3rholapl2[0] = 0.0e0; in func_pol()
4976 v3rholapl2[1] = 0.0e0; in func_pol()
4979 v3rholapl2[2] = 0.0e0; in func_pol()
4982 v3rholapl2[3] = 0.0e0; in func_pol()
4985 v3rholapl2[4] = 0.0e0; in func_pol()
4988 v3rholapl2[5] = 0.0e0; in func_pol()
H A Dmgga_x_mvsb.c703 v3rholapl2[0] = 0.0e0; in func_unpol()
1799 v3rholapl2[0] = 0.0e0; in func_ferr()
4817 v3rholapl2[0] = 0.0e0; in func_pol()
4820 v3rholapl2[1] = 0.0e0; in func_pol()
4823 v3rholapl2[2] = 0.0e0; in func_pol()
4826 v3rholapl2[3] = 0.0e0; in func_pol()
4829 v3rholapl2[4] = 0.0e0; in func_pol()
4832 v3rholapl2[5] = 0.0e0; in func_pol()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c293 …v3rholapl2[0] = -t332 * t333 / 0.8e1 - t298 - t337 * t333 / 0.4e1 + t340 * t225 * t88 / 0.4e1 + t3… in func_unpol()
897 …v3rholapl2[0] = -t305 * t306 / 0.4e1 - t274 - t309 * t200 / 0.2e1 + t309 * t128 * t199 / 0.2e1 + t… in func_ferr()
1739 …v3rholapl2[0] = -t489 * t490 / 0.4e1 - t496 - t497 * t205 / 0.2e1 + t497 * t290 * t204 / 0.2e1 + t… in func_pol()
1742 v3rholapl2[1] = 0.0e0; in func_pol()
1745 v3rholapl2[2] = 0.0e0; in func_pol()
1748 v3rholapl2[3] = 0.0e0; in func_pol()
1751 v3rholapl2[4] = 0.0e0; in func_pol()
1761 …v3rholapl2[5] = -t507 * t508 / 0.4e1 - t514 - t515 * t252 / 0.2e1 + t515 * t328 * t251 / 0.2e1 + t… in func_pol()

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