Home
last modified time | relevance | path

Searched refs:v3rhosigmatau (Results 1 – 25 of 73) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c98 assert(v3rhosigmatau != NULL); in xc_mgga()
121 libxc_memset(v3rhosigmatau, 0, dim->v3rhosigmatau*np*sizeof(double)); in xc_mgga()
306 double *v3rhosigma2, double *v3rhosigmalapl, double *v3rhosigmatau, in xc_mgga_exc_vxc_fxc_kxc() argument
315 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, in xc_mgga_exc_vxc_fxc_kxc()
332 double *v3rhosigma2, double *v3rhosigmalapl, double *v3rhosigmatau, in xc_mgga_vxc_fxc_kxc() argument
341 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, in xc_mgga_vxc_fxc_kxc()
390 double *v3rhosigma2, double *v3rhosigmalapl, double *v3rhosigmatau, in xc_mgga_kxc() argument
399 v3rhosigmatau, v3rholapl2, v3rholapltau, v3rhotau2, v3sigma3, v3sigma2lapl, in xc_mgga_kxc()
H A Dutil.c276 dim->v3rhosigmalapl = dim->v3rhosigmatau = dim->v3sigmalapltau = 1; in internal_counters_set_mgga()
301 dim->v3rhosigmatau = 2*3*2; in internal_counters_set_mgga()
563 *v3rhosigmatau += pos*dim->v3rhosigmatau + offset; in internal_counters_mgga_random()
657 *v3rhosigmatau += dim->v3rhosigmatau + offset; in internal_counters_mgga_next()
751 *v3rhosigmatau -= dim->v3rhosigmatau + 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, \
317 double *v3rhosigma2, double *v3rhosigmalapl, double *v3rhosigmatau,
334 double *v3rhosigma2, double *v3rhosigmalapl, double *v3rhosigmatau,
346 double *v3rhosigma2, double *v3rhosigmalapl, double *v3rhosigmatau,
H A Dmix_func.c220 v3rhosigmatau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3rhosigmatau); in xc_mix_func()
382 sum_var(v3rhosigmatau); 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.c163 v3rhosigmatau[0] = 0.0e0; in func_unpol()
478 v3rhosigmatau[0] = 0.0e0; in func_ferr()
1330 v3rhosigmatau[0] = 0.0e0; in func_pol()
1333 v3rhosigmatau[1] = 0.0e0; in func_pol()
1336 v3rhosigmatau[2] = 0.0e0; in func_pol()
1339 v3rhosigmatau[3] = 0.0e0; in func_pol()
1342 v3rhosigmatau[4] = 0.0e0; in func_pol()
1345 v3rhosigmatau[5] = 0.0e0; in func_pol()
1348 v3rhosigmatau[6] = 0.0e0; in func_pol()
1351 v3rhosigmatau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c192 v3rhosigmatau[0] = 0.0e0; in func_unpol()
538 v3rhosigmatau[0] = 0.0e0; in func_ferr()
1426 v3rhosigmatau[0] = 0.0e0; in func_pol()
1429 v3rhosigmatau[1] = 0.0e0; in func_pol()
1432 v3rhosigmatau[2] = 0.0e0; in func_pol()
1435 v3rhosigmatau[3] = 0.0e0; in func_pol()
1438 v3rhosigmatau[4] = 0.0e0; in func_pol()
1441 v3rhosigmatau[5] = 0.0e0; in func_pol()
1444 v3rhosigmatau[6] = 0.0e0; in func_pol()
1447 v3rhosigmatau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gdme.c178 v3rhosigmatau[0] = 0.0e0; in func_unpol()
507 v3rhosigmatau[0] = 0.0e0; in func_ferr()
1671 v3rhosigmatau[0] = 0.0e0; in func_pol()
1674 v3rhosigmatau[1] = 0.0e0; in func_pol()
1677 v3rhosigmatau[2] = 0.0e0; in func_pol()
1680 v3rhosigmatau[3] = 0.0e0; in func_pol()
1683 v3rhosigmatau[4] = 0.0e0; in func_pol()
1686 v3rhosigmatau[5] = 0.0e0; in func_pol()
1689 v3rhosigmatau[6] = 0.0e0; in func_pol()
1692 v3rhosigmatau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c175 v3rhosigmatau[0] = 0.0e0; in func_unpol()
505 v3rhosigmatau[0] = 0.0e0; in func_ferr()
1643 v3rhosigmatau[0] = 0.0e0; in func_pol()
1646 v3rhosigmatau[1] = 0.0e0; in func_pol()
1649 v3rhosigmatau[2] = 0.0e0; in func_pol()
1652 v3rhosigmatau[3] = 0.0e0; in func_pol()
1655 v3rhosigmatau[4] = 0.0e0; in func_pol()
1658 v3rhosigmatau[5] = 0.0e0; in func_pol()
1661 v3rhosigmatau[6] = 0.0e0; in func_pol()
1664 v3rhosigmatau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_rlda.c228 v3rhosigmatau[0] = 0.0e0; in func_unpol()
656 v3rhosigmatau[0] = 0.0e0; in func_ferr()
1882 v3rhosigmatau[0] = 0.0e0; in func_pol()
1885 v3rhosigmatau[1] = 0.0e0; in func_pol()
1888 v3rhosigmatau[2] = 0.0e0; in func_pol()
1891 v3rhosigmatau[3] = 0.0e0; in func_pol()
1894 v3rhosigmatau[4] = 0.0e0; in func_pol()
1897 v3rhosigmatau[5] = 0.0e0; in func_pol()
1900 v3rhosigmatau[6] = 0.0e0; in func_pol()
1903 v3rhosigmatau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c201 v3rhosigmatau[0] = 0.0e0; in func_unpol()
462 v3rhosigmatau[0] = 0.0e0; in func_ferr()
1796 v3rhosigmatau[0] = 0.0e0; in func_pol()
1799 v3rhosigmatau[1] = 0.0e0; in func_pol()
1802 v3rhosigmatau[2] = 0.0e0; in func_pol()
1805 v3rhosigmatau[3] = 0.0e0; in func_pol()
1808 v3rhosigmatau[4] = 0.0e0; in func_pol()
1811 v3rhosigmatau[5] = 0.0e0; in func_pol()
1814 v3rhosigmatau[6] = 0.0e0; in func_pol()
1817 v3rhosigmatau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c243 …v3rhosigmatau[0] = 0.36971002208167622832e-3 * t156 * t177 + 0.88730405299602294797e-3 * t83 * t33… in func_unpol()
1953 v3rhosigmatau[1] = 0.0e0; in func_pol()
1956 v3rhosigmatau[2] = 0.0e0; in func_pol()
1959 v3rhosigmatau[3] = 0.0e0; in func_pol()
1962 v3rhosigmatau[4] = 0.0e0; in func_pol()
1968 v3rhosigmatau[5] = -t1337 - 0.11091300662450286850e-2 * t1193 * t1339; in func_pol()
1972 v3rhosigmatau[6] = -t1321 - 0.11091300662450286850e-2 * t1121 * t1342; in func_pol()
1975 v3rhosigmatau[7] = 0.0e0; in func_pol()
1978 v3rhosigmatau[8] = 0.0e0; in func_pol()
1981 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c366 v3rhosigmatau[0] = 0.2e1 / 0.3e1 * t5 * t287 + t59 * t562 / 0.2e1; in func_unpol()
964 v3rhosigmatau[0] = 0.4e1 / 0.3e1 * t2 * t254 + t50 * t514; in func_ferr()
2484 v3rhosigmatau[1] = 0.0e0; in func_pol()
2487 v3rhosigmatau[2] = 0.0e0; in func_pol()
2490 v3rhosigmatau[3] = 0.0e0; in func_pol()
2493 v3rhosigmatau[4] = 0.0e0; in func_pol()
2498 v3rhosigmatau[5] = 0.4e1 / 0.3e1 * t528 * t1591 + 0.4e1 / 0.3e1 * t1590; in func_pol()
2505 v3rhosigmatau[7] = 0.0e0; in func_pol()
2508 v3rhosigmatau[8] = 0.0e0; in func_pol()
2511 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c309 …v3rhosigmatau[0] = 0.32320800000000000000e0 * t313 * t232 - 0.72721800000000000000e0 * t181 * t402… in func_unpol()
2343 v3rhosigmatau[1] = 0.0e0; in func_pol()
2346 v3rhosigmatau[2] = 0.0e0; in func_pol()
2349 v3rhosigmatau[3] = 0.0e0; in func_pol()
2352 v3rhosigmatau[4] = 0.0e0; in func_pol()
2363 …v3rhosigmatau[5] = t1615 + 0.64641600000000000000e0 * t498 * t1617 + t1621 + 0.6473027160493827160… in func_pol()
2370 …v3rhosigmatau[6] = t1585 + 0.64641600000000000000e0 * t498 * t1628 + t1603 + 0.6473027160493827160… in func_pol()
2373 v3rhosigmatau[7] = 0.0e0; in func_pol()
2376 v3rhosigmatau[8] = 0.0e0; in func_pol()
2379 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_dldf.c329 …v3rhosigmatau[0] = 0.67244032516693546385e-1 * t207 * t267 - 0.78700801800757726043e-2 * t212 * t4… in func_unpol()
2583 v3rhosigmatau[1] = 0.0e0; in func_pol()
2586 v3rhosigmatau[2] = 0.0e0; in func_pol()
2589 v3rhosigmatau[3] = 0.0e0; in func_pol()
2592 v3rhosigmatau[4] = 0.0e0; in func_pol()
2598 v3rhosigmatau[5] = -t2022 - 0.67244032516693546385e-1 * t610 * t2025; in func_pol()
2602 v3rhosigmatau[6] = -t2002 - 0.67244032516693546385e-1 * t584 * t2029; in func_pol()
2605 v3rhosigmatau[7] = 0.0e0; in func_pol()
2608 v3rhosigmatau[8] = 0.0e0; in func_pol()
2611 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_cc06.c289 v3rhosigmatau[0] = 0.0e0; in func_unpol()
754 v3rhosigmatau[0] = 0.0e0; in func_ferr()
2334 v3rhosigmatau[0] = 0.0e0; in func_pol()
2337 v3rhosigmatau[1] = 0.0e0; in func_pol()
2340 v3rhosigmatau[2] = 0.0e0; in func_pol()
2343 v3rhosigmatau[3] = 0.0e0; in func_pol()
2346 v3rhosigmatau[4] = 0.0e0; in func_pol()
2349 v3rhosigmatau[5] = 0.0e0; in func_pol()
2352 v3rhosigmatau[6] = 0.0e0; in func_pol()
2355 v3rhosigmatau[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_tau_hcth.c419 …v3rhosigmatau[0] = -t367 * t512 / 0.4e1 - 0.3e1 / 0.16e2 * t103 * t879 - 0.3e1 / 0.16e2 * t103 * t… in func_unpol()
2694 v3rhosigmatau[1] = 0.0e0; in func_pol()
2697 v3rhosigmatau[2] = 0.0e0; in func_pol()
2700 v3rhosigmatau[3] = 0.0e0; in func_pol()
2703 v3rhosigmatau[4] = 0.0e0; in func_pol()
2709 v3rhosigmatau[5] = -t969 * t2436 / 0.2e1 - t2434 / 0.2e1; in func_pol()
2713 v3rhosigmatau[6] = -t969 * t2439 / 0.2e1 - t2420 / 0.2e1; in func_pol()
2716 v3rhosigmatau[7] = 0.0e0; in func_pol()
2719 v3rhosigmatau[8] = 0.0e0; in func_pol()
2722 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gx.c700 v3rhosigmatau[0] = -t297 * t518 / 0.4e1 - 0.3e1 / 0.16e2 * t73 * t1127; in func_unpol()
4083 v3rhosigmatau[1] = 0.0e0; in func_pol()
4086 v3rhosigmatau[2] = 0.0e0; in func_pol()
4089 v3rhosigmatau[3] = 0.0e0; in func_pol()
4092 v3rhosigmatau[4] = 0.0e0; in func_pol()
4097 v3rhosigmatau[5] = -t275 * t2738 / 0.2e1 - t2736 / 0.2e1; in func_pol()
4101 v3rhosigmatau[6] = -t275 * t2742 / 0.2e1 - t2653 / 0.2e1; in func_pol()
4104 v3rhosigmatau[7] = 0.0e0; in func_pol()
4107 v3rhosigmatau[8] = 0.0e0; in func_pol()
4110 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
H A Dhyb_mgga_x_m05.c630 …v3rhosigmatau[0] = 0.29562081382197517857e-2 * t117 * t682 - 0.21631064964918420532e-3 * t515 * t1… in func_unpol()
4262 v3rhosigmatau[1] = 0.0e0; in func_pol()
4265 v3rhosigmatau[2] = 0.0e0; in func_pol()
4268 v3rhosigmatau[3] = 0.0e0; in func_pol()
4271 v3rhosigmatau[4] = 0.0e0; in func_pol()
4277 v3rhosigmatau[5] = -t3906 - 0.29562081382197517859e-2 * t1194 * t3909; in func_pol()
4281 v3rhosigmatau[6] = -t3886 - 0.29562081382197517859e-2 * t1164 * t3913; in func_pol()
4284 v3rhosigmatau[7] = 0.0e0; in func_pol()
4287 v3rhosigmatau[8] = 0.0e0; in func_pol()
4290 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c560 …v3rhosigmatau[0] = -t263 * t430 / 0.4e1 - 0.3e1 / 0.16e2 * t79 * t893 - t897 * t124 / 0.1152e4 - t… in func_unpol()
4026 v3rhosigmatau[1] = 0.0e0; in func_pol()
4029 v3rhosigmatau[2] = 0.0e0; in func_pol()
4032 v3rhosigmatau[3] = 0.0e0; in func_pol()
4035 v3rhosigmatau[4] = 0.0e0; in func_pol()
4042 v3rhosigmatau[5] = -t2881 - t856 * t2883 / 0.2e1 + t2887 + t2482 * t766 / 0.4608e4; in func_pol()
4046 v3rhosigmatau[6] = -t2811 - t856 * t2890 / 0.2e1 + t2871 + t2368 * t778 / 0.4608e4; in func_pol()
4049 v3rhosigmatau[7] = 0.0e0; in func_pol()
4052 v3rhosigmatau[8] = 0.0e0; in func_pol()
4055 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c757 …v3rhosigmatau[0] = -t325 * t575 / 0.4e1 - 0.3e1 / 0.16e2 * t70 * t1266 - 0.10155490000000000000e-2… in func_unpol()
4853 v3rhosigmatau[1] = 0.0e0; in func_pol()
4856 v3rhosigmatau[2] = 0.0e0; in func_pol()
4859 v3rhosigmatau[3] = 0.0e0; in func_pol()
4862 v3rhosigmatau[4] = 0.0e0; in func_pol()
4870 …v3rhosigmatau[5] = -t3474 - t1000 * t3476 / 0.2e1 + t3480 + 0.50777450000000000000e-3 * t1000 * t3… in func_pol()
4875 …v3rhosigmatau[6] = -t3374 - t1000 * t3484 / 0.2e1 + t3460 + 0.50777450000000000000e-3 * t1000 * t3… in func_pol()
4878 v3rhosigmatau[7] = 0.0e0; in func_pol()
4881 v3rhosigmatau[8] = 0.0e0; in func_pol()
4884 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c820 v3rhosigmatau[0] = -t664 * t939 / 0.4e1 - 0.3e1 / 0.16e2 * t155 * t1953; in func_unpol()
4920 v3rhosigmatau[1] = 0.0e0; in func_pol()
4923 v3rhosigmatau[2] = 0.0e0; in func_pol()
4926 v3rhosigmatau[3] = 0.0e0; in func_pol()
4929 v3rhosigmatau[4] = 0.0e0; in func_pol()
4934 v3rhosigmatau[5] = -t581 * t4552 / 0.2e1 - t4550 / 0.2e1; in func_pol()
4938 v3rhosigmatau[6] = -t581 * t4556 / 0.2e1 - t4491 / 0.2e1; in func_pol()
4941 v3rhosigmatau[7] = 0.0e0; in func_pol()
4944 v3rhosigmatau[8] = 0.0e0; in func_pol()
4947 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvsb.c700 …v3rhosigmatau[0] = -t321 * t554 / 0.4e1 - 0.3e1 / 0.16e2 * t77 * t1274 - t1278 * t137 / 0.1152e4 -… in func_unpol()
4740 v3rhosigmatau[1] = 0.0e0; in func_pol()
4743 v3rhosigmatau[2] = 0.0e0; in func_pol()
4746 v3rhosigmatau[3] = 0.0e0; in func_pol()
4749 v3rhosigmatau[4] = 0.0e0; in func_pol()
4756 v3rhosigmatau[5] = -t3620 - t1002 * t3622 / 0.2e1 + t3626 + t3060 * t900 / 0.4608e4; in func_pol()
4760 v3rhosigmatau[6] = -t3501 - t1002 * t3629 / 0.2e1 + t3610 + t2862 * t912 / 0.4608e4; in func_pol()
4763 v3rhosigmatau[7] = 0.0e0; in func_pol()
4766 v3rhosigmatau[8] = 0.0e0; in func_pol()
4769 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c890 v3rhosigmatau[0] = -t302 * t30; in func_ferr()
1912 v3rhosigmatau[1] = 0.0e0; in func_pol()
1915 v3rhosigmatau[2] = 0.0e0; in func_pol()
1918 v3rhosigmatau[3] = 0.0e0; in func_pol()
1921 v3rhosigmatau[4] = 0.0e0; in func_pol()
1924 v3rhosigmatau[5] = 0.0e0; in func_pol()
1927 v3rhosigmatau[6] = 0.0e0; in func_pol()
1930 v3rhosigmatau[7] = 0.0e0; in func_pol()
1933 v3rhosigmatau[8] = 0.0e0; in func_pol()
1936 v3rhosigmatau[9] = 0.0e0; in func_pol()
[all …]

123