atom_kind_orbitals.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	atom_kind_orbitals
	calculate the orbitals for a given atomic kind type

Functions/Subroutines
subroutine, public	atom_kind_orbitals::calculate_atomic_orbitals (atomic_kind, qs_kind, agrid, iunit, pmat, fmat, density, wavefunction, wfninfo, confine, xc_section, nocc)
	...
subroutine, public	atom_kind_orbitals::calculate_atomic_density (density, atomic_kind, qs_kind, ngto, iunit, optbasis, allelectron, confine)
	...
subroutine, public	atom_kind_orbitals::calculate_atomic_relkin (atomic_kind, qs_kind, rel_control, rtmat)
	...
subroutine, public	atom_kind_orbitals::gth_potential_conversion (gth_potential, gth_atompot)
	...