(git:58e3e09)
atom_output.F File Reference

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