rwgk / sginfoLinks
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
Sorting:
- ASE density-functional tight-binding calculator☆66Updated 9 months ago
- Crystal structure container and parsers for structure formats.☆35Updated 3 months ago
- Suite of programs to simulate disordered and nanomaterials☆60Updated this week
- Free Objects for Crystallography : Fox / ObjCryst++☆24Updated 3 months ago
- Atomistic Manipulation Toolkit☆36Updated last month
- Python framework for generating and validating pseudo potentials☆48Updated last year
- A module for ASE for elastic constants calculation.☆47Updated 8 months ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆51Updated this week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 5 months ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆45Updated 2 years ago
- Atomistic Manipulation Toolkit☆91Updated 2 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆61Updated 2 years ago
- A Python interface to the electron microscopy simulation program QSTEM☆64Updated 5 years ago
- Course materials for NANO 106 - Crystallography of Materials☆36Updated 3 years ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆34Updated last week
- Interatomic potential creating using DFT training data.☆27Updated 6 years ago
- Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)☆23Updated 5 months ago
- Tight Binding Machine Learning Toolkit☆44Updated this week
- Many-body dispersion library☆56Updated last year
- A Basic Symmetry Module (Python)☆17Updated 6 months ago
- A Python module for scripting with Q-Chem☆14Updated 3 years ago
- Debye's scattering equation & other analysis of atomistic models.☆55Updated last year
- Minimum-strain symmetrization of Bravais lattices☆18Updated 5 years ago
- Library first implementation of the D3 dispersion correction☆71Updated 2 months ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆99Updated 8 months ago
- NO LONGER UPDATED. Use the official repository.☆84Updated 5 years ago
- Numerical integration grid for molecules.☆50Updated 2 months ago
- Analysis of quantum chemical interactions in molecules and solids.☆112Updated last week
- optking: A molecular geometry optimization program☆25Updated 2 months ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago