prg_homolumo_mod Module Reference

The homolumo module. More...

Functions/Subroutines
subroutine, public	prg_homolumogap (vv, imax, pp, mineval, maxeval, ehomo, elumo, egap, verbose)
subroutine, public	prg_sp2sequence (pp, imax, mineval, maxeval, ehomo, elumo, errlimit, verbose)

Variables
integer, parameter	dp = kind(1.0d0)

Detailed Description

The homolumo module.

Function/Subroutine Documentation

prg_homolumogap()

subroutine, public prg_homolumo_mod::prg_homolumogap	(	real(dp), dimension(:), intent(in)	vv,
		integer, intent(in)	imax,
		integer, dimension(:), intent(in)	pp,
		real(dp), intent(in)	mineval,
		real(dp), intent(in)	maxeval,
		real(dp), intent(inout)	ehomo,
		real(dp), intent(inout)	elumo,
		real(dp), intent(inout)	egap,
		integer, intent(in), optional	verbose
	)

Definition at line 22 of file prg_homolumo_mod.F90.

prg_sp2sequence()

subroutine, public prg_homolumo_mod::prg_sp2sequence	(	integer, dimension(:), intent(inout)	pp,
		integer, intent(inout)	imax,
		real(dp), intent(in)	mineval,
		real(dp), intent(in)	maxeval,
		real(dp), intent(in)	ehomo,
		real(dp), intent(in)	elumo,
		real(dp), intent(in)	errlimit,
		integer, intent(in), optional	verbose
	)

Definition at line 97 of file prg_homolumo_mod.F90.

Variable Documentation

dp

integer, parameter prg_homolumo_mod::dp = kind(1.0d0)

private

Definition at line 14 of file prg_homolumo_mod.F90.