Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

pypi.org "Crystal" keyword

molmod-amg 0.0.3

Manager for QC calculations
1 version - Latest release: over 5 years ago - 1 dependent repositories - 11 downloads last month - 1 maintainer

ellipticbn 1.2.1

Python package for analyzing Cucurbituril crystal structures automatically
12 versions - Latest release: 11 months ago - 55 downloads last month - 0 stars on GitHub - 1 maintainer

kplib 1.1.1

Library for generating highly-efficient generalized Monkhorst-Pack K-point grids to accelerate el...
5 versions - Latest release: about 1 year ago - 1 dependent repositories - 44 downloads last month - 7 stars on GitLab.com - 2 maintainers

Related Keywords

Density 1 Functional 1 Theory 1 modeling 1 CBn; 1 structure 1 Computational Materials Science 1 Materials Simulation 1 Electronic Structure 1 K-points 1 kpoint 1 Density Functional Theory 1 DFT 1 VASP 1