rwgk / sginfo
SgInfo - Space Group Info
☆17Updated 3 years ago
Alternatives and similar repositories for sginfo:
Users that are interested in sginfo are comparing it to the libraries listed below
- Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)☆21Updated 2 weeks ago
- Crystal structure container and parsers for structure formats.☆35Updated 6 months ago
- Free Objects for Crystallography : Fox / ObjCryst++☆23Updated 8 months ago
- Suite of programs to simulate disordered and nanomaterials☆58Updated 3 weeks ago
- Debye's scattering equation & other analysis of atomistic models.☆53Updated last year
- A Python module for scripting with Q-Chem☆14Updated 2 years ago
- Atomistic Manipulation Toolkit☆36Updated last month
- Yet Another extended Hueckel Molecular Orbital Package☆23Updated last month
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated this week
- A one-stop-shop for handling data in computational spectroscopy☆16Updated 2 months ago
- python wrappers for generating training files for the ReaxFF code☆24Updated 11 years ago
- Course materials for NANO 106 - Crystallography of Materials☆34Updated 2 years ago
- Automatically exported from code.google.com/p/elba-lammps☆21Updated 9 years ago
- Set of scripts for working with Topas☆16Updated 3 weeks ago
- Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.☆16Updated 3 weeks ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated 9 months ago
- Grand canonical optimization of grain boundary phases.☆19Updated this week
- A Basic Symmetry Module (Python)☆17Updated 3 weeks ago
- ASE density-functional tight-binding calculator☆66Updated 3 months ago
- Minimum-strain symmetrization of Bravais lattices☆17Updated 4 years ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆33Updated 3 months ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 3 years ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆42Updated 7 months ago
- Tools to interface ChIMES with various external codes.☆22Updated 8 months ago
- A simple python package for drawing attractive chemical reaction energy level diagrams☆28Updated 5 years ago
- Extended XYZ specification and parsers☆18Updated 10 months ago
- ERKALE -- HF/DFT from Hel☆49Updated last month
- Python library written in C++ for calculation of local atomic structural environment☆61Updated 8 months ago
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆19Updated 11 months ago
- Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)☆20Updated 3 months ago