ccs_fit.common.io

Common IO routines used by the CCS project.

Module Contents

Functions

read_detailedout(fname)	Reads desired energy terms from DFTB+ detailed.out files.
get_paths_from_file(fname)	Extracts a list of paths from a given file.

ccs_fit.common.io.read_detailedout(fname)

Reads desired energy terms from DFTB+ detailed.out files.

Parameters:

fname (str) – filename to read from

ccs_fit.common.io.get_paths_from_file(fname)

Extracts a list of paths from a given file.

Parameters:

fname (str) – filename to read from

Returns:

list of raw paths

Return type:

paths (list)