Metadata-Version: 2.1
Name: kgrid
Version: 1.1.0
Summary: Reciprocal space sampling for atomistic crystal structures
Home-page: https://github.com/WMD-group/kgrid
Author: Adam J. Jackson
Author-email: a.j.jackson@physics.org
License: GPL v3
Keywords: chemistry physics k-point sampling reciprocal
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3.6
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, !=3.5.*, >=3.6, <4
Description-Content-Type: text/markdown
Requires-Dist: ase


Generate reciprocal-space grids with scalar cutoff parameters and standard
crystal structure files. kgrid helps with k-point convergence problems when 
using ab initio codes that lack a single-parameter option, and help you
understand and plan calculations with codes that do.


