modxcifc Module Reference

Functions/Subroutines
subroutine	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	getxcdata (xctype, xcdescr, xcspin, xcgrad, hybrid, hybridc)

Function/Subroutine Documentation

getxcdata()

subroutine modxcifc::getxcdata	(	integer, dimension(3), intent(in)	xctype,
		character(264), intent(out)	xcdescr,
		integer, intent(out)	xcspin,
		integer, intent(out)	xcgrad,
		logical, intent(out)	hybrid,
		real(8), intent(out)	hybridc
	)

Definition at line 410 of file modxcifc.f90.

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xcifc()

subroutine modxcifc::xcifc	(	integer, dimension(3), intent(in)	xctype,
		integer, intent(in)	n,
		real(8), intent(in), optional	c_tb09,
		real(8), intent(in), optional	tempa,
		real(8), dimension(n), intent(in), optional	rho,
		real(8), dimension(n), intent(in), optional	rhoup,
		real(8), dimension(n), intent(in), optional	rhodn,
		real(8), dimension(n), intent(in), optional	grho,
		real(8), dimension(n), intent(in), optional	gup,
		real(8), dimension(n), intent(in), optional	gdn,
		real(8), dimension(n), intent(in), optional	g2rho,
		real(8), dimension(n), intent(in), optional	g2up,
		real(8), dimension(n), intent(in), optional	g2dn,
		real(8), dimension(n), intent(in), optional	g3rho,
		real(8), dimension(n), intent(in), optional	g3up,
		real(8), dimension(n), intent(in), optional	g3dn,
		real(8), dimension(n), intent(in), optional	grho2,
		real(8), dimension(n), intent(in), optional	gup2,
		real(8), dimension(n), intent(in), optional	gdn2,
		real(8), dimension(n), intent(in), optional	gupdn,
		real(8), dimension(n), intent(in), optional	tau,
		real(8), dimension(n), intent(in), optional	tauup,
		real(8), dimension(n), intent(in), optional	taudn,
		real(8), dimension(n), intent(out), optional	ex,
		real(8), dimension(n), intent(out), optional	ec,
		real(8), dimension(n), intent(out), optional	vx,
		real(8), dimension(n), intent(out), optional	vc,
		real(8), dimension(n), intent(out), optional	vxup,
		real(8), dimension(n), intent(out), optional	vxdn,
		real(8), dimension(n), intent(out), optional	vcup,
		real(8), dimension(n), intent(out), optional	vcdn,
		real(8), dimension(n), intent(out), optional	dxdgr2,
		real(8), dimension(n), intent(out), optional	dxdgu2,
		real(8), dimension(n), intent(out), optional	dxdgd2,
		real(8), dimension(n), intent(out), optional	dxdgud,
		real(8), dimension(n), intent(out), optional	dcdgr2,
		real(8), dimension(n), intent(out), optional	dcdgu2,
		real(8), dimension(n), intent(out), optional	dcdgd2,
		real(8), dimension(n), intent(out), optional	dcdgud,
		real(8), dimension(n), intent(out), optional	dxdg2r,
		real(8), dimension(n), intent(out), optional	dxdg2u,
		real(8), dimension(n), intent(out), optional	dxdg2d,
		real(8), dimension(n), intent(out), optional	dcdg2r,
		real(8), dimension(n), intent(out), optional	dcdg2u,
		real(8), dimension(n), intent(out), optional	dcdg2d,
		real(8), dimension(n), intent(out), optional	wx,
		real(8), dimension(n), intent(out), optional	wxup,
		real(8), dimension(n), intent(out), optional	wxdn,
		real(8), dimension(n), intent(out), optional	wc,
		real(8), dimension(n), intent(out), optional	wcup,
		real(8), dimension(n), intent(out), optional	wcdn,
		real(8), dimension(n), intent(out), optional	dtdr,
		real(8), dimension(n), intent(out), optional	dtdru,
		real(8), dimension(n), intent(out), optional	dtdrd,
		real(8), dimension(n), intent(out), optional	dtdgr2,
		real(8), dimension(n), intent(out), optional	dtdgu2,
		real(8), dimension(n), intent(out), optional	dtdgd2,
		real(8), dimension(n), intent(out), optional	dtdg2r,
		real(8), dimension(n), intent(out), optional	dtdg2u,
		real(8), dimension(n), intent(out), optional	dtdg2d
	)

Definition at line 15 of file modxcifc.f90.

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