atom_output.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	atom_output
	Routines that print various information about an atomic kind.

Functions/Subroutines
subroutine, public	atom_output::atom_print_info (zval, info, iw)
	Print an information string related to the atomic kind.
subroutine, public	atom_output::atom_print_state (state, iw)
	Print information about electronic state.
subroutine, public	atom_output::atom_print_energies (atom, iw)
	Print energy components.
subroutine, public	atom_output::atom_print_zmp_iteration (iter, deps, atom, iw)
	Printing of the atomic iterations when ZMP is active.
subroutine, public	atom_output::atom_print_iteration (iter, deps, etot, iw)
	Print convergence information.
subroutine, public	atom_output::atom_print_basis (atom_basis, iw, title)
	Print atomic basis set.
subroutine, public	atom_output::atom_print_basis_file (atom_basis, wfn)
	Print the optimized atomic basis set into a file.
subroutine, public	atom_output::atom_print_method (atom, iw)
	Print information about the electronic structure method in use.
subroutine, public	atom_output::atom_print_potential (potential, iw)
	Print information about the pseudo-potential.
subroutine, public	atom_output::atom_write_pseudo_param (gthpot, iunit)
	Print GTH pseudo-potential parameters.
subroutine, public	atom_output::atom_print_orbitals (atom, iw, xmgrace)
	Print atomic orbitals.