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Searched refs:v3rhosigmalapl (Results 1 – 25 of 73) sorted by relevance

123

/dports/science/libxc/libxc-5.0.0/src/
H A Dmgga.c107 assert(v3rhosigmalapl != NULL); in xc_mgga()
130 libxc_memset(v3rhosigmalapl, 0, dim->v3rhosigmalapl*np*sizeof(double)); in xc_mgga()
306 double *v3rhosigma2, double *v3rhosigmalapl, double *v3rhosigmatau, in xc_mgga_exc_vxc_fxc_kxc() argument
314 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, in xc_mgga_exc_vxc_fxc_kxc()
332 double *v3rhosigma2, double *v3rhosigmalapl, double *v3rhosigmatau, in xc_mgga_vxc_fxc_kxc() argument
340 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, in xc_mgga_vxc_fxc_kxc()
390 double *v3rhosigma2, double *v3rhosigmalapl, double *v3rhosigmatau, in xc_mgga_kxc() argument
398 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, in xc_mgga_kxc()
H A Dutil.c276 dim->v3rhosigmalapl = dim->v3rhosigmatau = dim->v3sigmalapltau = 1; in internal_counters_set_mgga()
300 dim->v3rhosigmalapl = 2*3*2; in internal_counters_set_mgga()
552 *v3rhosigmalapl += pos*dim->v3rhosigmalapl + offset; in internal_counters_mgga_random()
646 *v3rhosigmalapl += dim->v3rhosigmalapl + offset; in internal_counters_mgga_next()
740 *v3rhosigmalapl -= dim->v3rhosigmalapl + offset; in internal_counters_mgga_prev()
H A Dlibxc_master.F90612 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, &
677 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, &
718 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, &
748 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, &
1314 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, & argument
1349 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, &
1401 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, & argument
1420 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, &
1454 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, & argument
1473 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, &
[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.c219 v3rhosigmalapl_ = (double *) libxc_malloc(sizeof(double)*np*dim->v3rhosigmalapl); in xc_mix_func()
371 sum_var(v3rhosigmalapl); in xc_mix_func()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901207 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, &
1227 v3rhosigma2(*), v3rhosigmalapl(*), v3rhosigmatau(*), v3rholapl2(*), & local
1272 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, &
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
2142 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, & argument
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c160 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
475 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
1294 v3rhosigmalapl[0] = 0.0e0; in func_pol()
1297 v3rhosigmalapl[1] = 0.0e0; in func_pol()
1300 v3rhosigmalapl[2] = 0.0e0; in func_pol()
1303 v3rhosigmalapl[3] = 0.0e0; in func_pol()
1306 v3rhosigmalapl[4] = 0.0e0; in func_pol()
1309 v3rhosigmalapl[5] = 0.0e0; in func_pol()
1312 v3rhosigmalapl[6] = 0.0e0; in func_pol()
1315 v3rhosigmalapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_xc_zlp.c189 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
535 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
1390 v3rhosigmalapl[0] = 0.0e0; in func_pol()
1393 v3rhosigmalapl[1] = 0.0e0; in func_pol()
1396 v3rhosigmalapl[2] = 0.0e0; in func_pol()
1399 v3rhosigmalapl[3] = 0.0e0; in func_pol()
1402 v3rhosigmalapl[4] = 0.0e0; in func_pol()
1405 v3rhosigmalapl[5] = 0.0e0; in func_pol()
1408 v3rhosigmalapl[6] = 0.0e0; in func_pol()
1411 v3rhosigmalapl[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gdme.c175 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
504 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
1635 v3rhosigmalapl[0] = 0.0e0; in func_pol()
1638 v3rhosigmalapl[1] = 0.0e0; in func_pol()
1641 v3rhosigmalapl[2] = 0.0e0; in func_pol()
1644 v3rhosigmalapl[3] = 0.0e0; in func_pol()
1647 v3rhosigmalapl[4] = 0.0e0; in func_pol()
1650 v3rhosigmalapl[5] = 0.0e0; in func_pol()
1653 v3rhosigmalapl[6] = 0.0e0; in func_pol()
1656 v3rhosigmalapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_lta.c172 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
502 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
1607 v3rhosigmalapl[0] = 0.0e0; in func_pol()
1610 v3rhosigmalapl[1] = 0.0e0; in func_pol()
1613 v3rhosigmalapl[2] = 0.0e0; in func_pol()
1616 v3rhosigmalapl[3] = 0.0e0; in func_pol()
1619 v3rhosigmalapl[4] = 0.0e0; in func_pol()
1622 v3rhosigmalapl[5] = 0.0e0; in func_pol()
1625 v3rhosigmalapl[6] = 0.0e0; in func_pol()
1628 v3rhosigmalapl[7] = 0.0e0; in func_pol()
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H A Dmgga_x_rlda.c225 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
653 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
1846 v3rhosigmalapl[0] = 0.0e0; in func_pol()
1849 v3rhosigmalapl[1] = 0.0e0; in func_pol()
1852 v3rhosigmalapl[2] = 0.0e0; in func_pol()
1855 v3rhosigmalapl[3] = 0.0e0; in func_pol()
1858 v3rhosigmalapl[4] = 0.0e0; in func_pol()
1861 v3rhosigmalapl[5] = 0.0e0; in func_pol()
1864 v3rhosigmalapl[6] = 0.0e0; in func_pol()
1867 v3rhosigmalapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_c_cs.c198 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
459 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
1760 v3rhosigmalapl[0] = 0.0e0; in func_pol()
1763 v3rhosigmalapl[1] = 0.0e0; in func_pol()
1766 v3rhosigmalapl[2] = 0.0e0; in func_pol()
1769 v3rhosigmalapl[3] = 0.0e0; in func_pol()
1772 v3rhosigmalapl[4] = 0.0e0; in func_pol()
1775 v3rhosigmalapl[5] = 0.0e0; in func_pol()
1778 v3rhosigmalapl[6] = 0.0e0; in func_pol()
1781 v3rhosigmalapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_2d_js17.c237 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
652 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
1907 v3rhosigmalapl[0] = 0.0e0; in func_pol()
1910 v3rhosigmalapl[1] = 0.0e0; in func_pol()
1913 v3rhosigmalapl[2] = 0.0e0; in func_pol()
1916 v3rhosigmalapl[3] = 0.0e0; in func_pol()
1919 v3rhosigmalapl[4] = 0.0e0; in func_pol()
1922 v3rhosigmalapl[5] = 0.0e0; in func_pol()
1925 v3rhosigmalapl[6] = 0.0e0; in func_pol()
1928 v3rhosigmalapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_gvt4.c353 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
950 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
2432 v3rhosigmalapl[0] = 0.0e0; in func_pol()
2435 v3rhosigmalapl[1] = 0.0e0; in func_pol()
2438 v3rhosigmalapl[2] = 0.0e0; in func_pol()
2441 v3rhosigmalapl[3] = 0.0e0; in func_pol()
2444 v3rhosigmalapl[4] = 0.0e0; in func_pol()
2447 v3rhosigmalapl[5] = 0.0e0; in func_pol()
2450 v3rhosigmalapl[6] = 0.0e0; in func_pol()
2453 v3rhosigmalapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pkzb.c299 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
789 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
2288 v3rhosigmalapl[0] = 0.0e0; in func_pol()
2291 v3rhosigmalapl[1] = 0.0e0; in func_pol()
2294 v3rhosigmalapl[2] = 0.0e0; in func_pol()
2297 v3rhosigmalapl[3] = 0.0e0; in func_pol()
2300 v3rhosigmalapl[4] = 0.0e0; in func_pol()
2303 v3rhosigmalapl[5] = 0.0e0; in func_pol()
2306 v3rhosigmalapl[6] = 0.0e0; in func_pol()
2309 v3rhosigmalapl[7] = 0.0e0; in func_pol()
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H A Dhyb_mgga_x_dldf.c323 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
824 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
2538 v3rhosigmalapl[0] = 0.0e0; in func_pol()
2541 v3rhosigmalapl[1] = 0.0e0; in func_pol()
2544 v3rhosigmalapl[2] = 0.0e0; in func_pol()
2547 v3rhosigmalapl[3] = 0.0e0; in func_pol()
2550 v3rhosigmalapl[4] = 0.0e0; in func_pol()
2553 v3rhosigmalapl[5] = 0.0e0; in func_pol()
2556 v3rhosigmalapl[6] = 0.0e0; in func_pol()
2559 v3rhosigmalapl[7] = 0.0e0; in func_pol()
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H A Dmgga_xc_cc06.c286 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
751 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
2298 v3rhosigmalapl[0] = 0.0e0; in func_pol()
2301 v3rhosigmalapl[1] = 0.0e0; in func_pol()
2304 v3rhosigmalapl[2] = 0.0e0; in func_pol()
2307 v3rhosigmalapl[3] = 0.0e0; in func_pol()
2310 v3rhosigmalapl[4] = 0.0e0; in func_pol()
2313 v3rhosigmalapl[5] = 0.0e0; in func_pol()
2316 v3rhosigmalapl[6] = 0.0e0; in func_pol()
2319 v3rhosigmalapl[7] = 0.0e0; in func_pol()
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H A Dmgga_x_tau_hcth.c414 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
1043 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
2650 v3rhosigmalapl[0] = 0.0e0; in func_pol()
2653 v3rhosigmalapl[1] = 0.0e0; in func_pol()
2656 v3rhosigmalapl[2] = 0.0e0; in func_pol()
2659 v3rhosigmalapl[3] = 0.0e0; in func_pol()
2662 v3rhosigmalapl[4] = 0.0e0; in func_pol()
2665 v3rhosigmalapl[5] = 0.0e0; in func_pol()
2668 v3rhosigmalapl[6] = 0.0e0; in func_pol()
2671 v3rhosigmalapl[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gx.c665 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
1797 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
4009 v3rhosigmalapl[0] = 0.0e0; in func_pol()
4012 v3rhosigmalapl[1] = 0.0e0; in func_pol()
4015 v3rhosigmalapl[2] = 0.0e0; in func_pol()
4018 v3rhosigmalapl[3] = 0.0e0; in func_pol()
4021 v3rhosigmalapl[4] = 0.0e0; in func_pol()
4024 v3rhosigmalapl[5] = 0.0e0; in func_pol()
4027 v3rhosigmalapl[6] = 0.0e0; in func_pol()
4030 v3rhosigmalapl[7] = 0.0e0; in func_pol()
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H A Dhyb_mgga_x_m05.c625 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
1673 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
4216 v3rhosigmalapl[0] = 0.0e0; in func_pol()
4219 v3rhosigmalapl[1] = 0.0e0; in func_pol()
4222 v3rhosigmalapl[2] = 0.0e0; in func_pol()
4225 v3rhosigmalapl[3] = 0.0e0; in func_pol()
4228 v3rhosigmalapl[4] = 0.0e0; in func_pol()
4231 v3rhosigmalapl[5] = 0.0e0; in func_pol()
4234 v3rhosigmalapl[6] = 0.0e0; in func_pol()
4237 v3rhosigmalapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_mvs.c536 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
1420 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
3966 v3rhosigmalapl[0] = 0.0e0; in func_pol()
3969 v3rhosigmalapl[1] = 0.0e0; in func_pol()
3972 v3rhosigmalapl[2] = 0.0e0; in func_pol()
3975 v3rhosigmalapl[3] = 0.0e0; in func_pol()
3978 v3rhosigmalapl[4] = 0.0e0; in func_pol()
3981 v3rhosigmalapl[5] = 0.0e0; in func_pol()
3984 v3rhosigmalapl[6] = 0.0e0; in func_pol()
3987 v3rhosigmalapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_pbe_gx.c719 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
1896 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
4773 v3rhosigmalapl[0] = 0.0e0; in func_pol()
4776 v3rhosigmalapl[1] = 0.0e0; in func_pol()
4779 v3rhosigmalapl[2] = 0.0e0; in func_pol()
4782 v3rhosigmalapl[3] = 0.0e0; in func_pol()
4785 v3rhosigmalapl[4] = 0.0e0; in func_pol()
4788 v3rhosigmalapl[5] = 0.0e0; in func_pol()
4791 v3rhosigmalapl[6] = 0.0e0; in func_pol()
4794 v3rhosigmalapl[7] = 0.0e0; in func_pol()
[all …]
H A Dmgga_x_m06l.c800 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
2153 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
4863 v3rhosigmalapl[0] = 0.0e0; in func_pol()
4866 v3rhosigmalapl[1] = 0.0e0; in func_pol()
4869 v3rhosigmalapl[2] = 0.0e0; in func_pol()
4872 v3rhosigmalapl[3] = 0.0e0; in func_pol()
4875 v3rhosigmalapl[4] = 0.0e0; in func_pol()
4878 v3rhosigmalapl[5] = 0.0e0; in func_pol()
4881 v3rhosigmalapl[6] = 0.0e0; in func_pol()
4884 v3rhosigmalapl[7] = 0.0e0; in func_pol()
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H A Dmgga_x_mvsb.c652 v3rhosigmalapl[0] = 0.0e0; in func_unpol()
1754 v3rhosigmalapl[0] = 0.0e0; in func_ferr()
4659 v3rhosigmalapl[0] = 0.0e0; in func_pol()
4662 v3rhosigmalapl[1] = 0.0e0; in func_pol()
4665 v3rhosigmalapl[2] = 0.0e0; in func_pol()
4668 v3rhosigmalapl[3] = 0.0e0; in func_pol()
4671 v3rhosigmalapl[4] = 0.0e0; in func_pol()
4674 v3rhosigmalapl[5] = 0.0e0; in func_pol()
4677 v3rhosigmalapl[6] = 0.0e0; in func_pol()
4680 v3rhosigmalapl[7] = 0.0e0; in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c273 …v3rhosigmalapl[0] = -t292 * t208 / 0.8e1 - t298 - t300 * t220 / 0.4e1 + t224 * t304 / 0.4e1 + t86 … in func_unpol()
1862 v3rhosigmalapl[1] = 0.0e0; in func_pol()
1865 v3rhosigmalapl[2] = 0.0e0; in func_pol()
1868 v3rhosigmalapl[3] = 0.0e0; in func_pol()
1871 v3rhosigmalapl[4] = 0.0e0; in func_pol()
1874 v3rhosigmalapl[5] = 0.0e0; in func_pol()
1877 v3rhosigmalapl[6] = 0.0e0; in func_pol()
1880 v3rhosigmalapl[7] = 0.0e0; in func_pol()
1883 v3rhosigmalapl[8] = 0.0e0; in func_pol()
1886 v3rhosigmalapl[9] = 0.0e0; in func_pol()
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