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Modules | |
module | libxcifc |
Functions/Subroutines | |
subroutine | libxcifc::xcifc_libxc (xctype, n, c_tb09, tempa, rho, rhoup, rhodn, g2rho, g2up, g2dn, grho2, gup2, gdn2, gupdn, tau, tauup, taudn, ex, ec, vx, vc, vxup, vxdn, vcup, vcdn, dxdgr2, dxdgu2, dxdgd2, dxdgud, dcdgr2, dcdgu2, dcdgd2, dcdgud, dxdg2r, dxdg2u, dxdg2d, dcdg2r, dcdg2u, dcdg2d, wx, wxup, wxdn, wc, wcup, wcdn) |
subroutine | libxcifc::fxcifc_libxc (fxctype, n, rho, rhoup, rhodn, fxc, fxcuu, fxcud, fxcdd) |
subroutine | libxcifc::xcdata_libxc (xctype, xcdescr, xcspin, xcgrad, hybrid, hybridc) |
Variables | |
integer, dimension(3) | libxcifc::libxcv |
integer, parameter | libxcifc::xc_mgga_x_tb09 =208 |