pao_io.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	pao_io::pao_ioblock_type
type	pao_io::pao_iokind_type

Modules
module	pao_io
	Routines for reading and writing restart files.

Functions/Subroutines
subroutine, public	pao_io::pao_read_restart (pao, qs_env)
	Reads restart file.
subroutine, public	pao_io::pao_read_raw (filename, param, hmat, kinds, atom2kind, positions, xblocks, ml_range)
	Reads a restart file into temporary datastructures.
subroutine, public	pao_io::pao_kinds_ensure_equal (pao, qs_env, ikind, pao_kind)
	Ensure that the kind read from the restart is equal to the kind curretly in use.
subroutine, public	pao_io::pao_write_restart (pao, qs_env, energy)
	Writes restart file.
subroutine, public	pao_io::pao_write_ks_matrix_csr (qs_env, ls_scf_env)
	writing the KS matrix (in terms of the PAO basis) in csr format into a file
subroutine, public	pao_io::pao_write_s_matrix_csr (qs_env, ls_scf_env)
	writing the overlap matrix (in terms of the PAO basis) in csr format into a file