uppasd

Full name: ase2sprkkr.tools.commands.uppasd

Module class hierarchy

Description

Convert SPRKKR output to UppASD input files and plots the computed Jij (experimental)

Functions

find_files_by_pattern(args)	Find files by pattern if not explicitly provided
parser(parser)
run(args)
write_mom_file(trim_labels, exclude_list, ...)
write_pos_file(trim_labels, exclude_list, ...)

Classes

JXCProcessor([maptype])
Plotter([font_size])
PotentialFileReader(file_name)