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Modules | |
| module | modxcifc |
Functions/Subroutines | |
| subroutine | modxcifc::xcifc (xctype, n, c_tb09, tempa, rho, rhoup, rhodn, grho, gup, gdn, g2rho, g2up, g2dn, g3rho, g3up, g3dn, 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, dtdr, dtdru, dtdrd, dtdgr2, dtdgu2, dtdgd2, dtdg2r, dtdg2u, dtdg2d) |
| subroutine | modxcifc::getxcdata (xctype, xcdescr, xcspin, xcgrad, hybrid, hybridc) |