Reading GPAW’s log-file

ASE-plugin

ASE’s ase.io.read() function will use gpaw.ase_plugin.read_gpaw_log() and gpaw.io.log_file_reader.parse() to read atoms from GPAW’s log-file.

Plugin for ASE so that ASE can read log-files from GPAW calculations.

gpaw.ase_plugin.read_gpaw_log(filedesc, index)

Parsing

gpaw.io.log_file_reader.parse(lines, keys=None)

Parse GPAW’s log-file to list of dicts.

One dict for each atomic configuration.

gpaw.io.log_file_reader.parse_file(filename, keys=None)