semvec/pypi-packages huggingface dataset:
parse-fmt 0.5.2
A Python parser for CASTEP fmt files (densities, potentials etc.)
License: MIT
Requires Python: >=2.7
Keywords: crystallography ccpnc computational chemistry


parse-fmt is a small library meant to parse .fmt files, the default format
used by the ab-initio software CASTEP (http://www.castep.org/) to write out
volumetric data such as electronic densities. parse-fmt provides the class
FMTReader, which allows to read a .fmt file and stores its data, as well
as the grid it is defined on, as members.