prisms-center / CASMcodeLinks
First-principles statistical mechanical software for the study of multi-component crystalline solids
☆113Updated last year
Alternatives and similar repositories for CASMcode
Users that are interested in CASMcode are comparing it to the libraries listed below
Sorting:
- A module for ASE for elastic constants calculation.☆46Updated 6 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆102Updated last year
- Fermi surface generation, analysis and visualisation.☆95Updated last week
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- A grain boundary generation code☆69Updated last year
- Open-source library for analyzing the results produced by ABINIT☆122Updated this week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 2 months ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆72Updated last year
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 7 months ago
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆50Updated last month
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆87Updated last month
- A Python library to calculate elastic properties of materials.☆59Updated 2 weeks ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆167Updated 2 weeks ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆75Updated last year
- A library of ultrasoft and PAW pseudopotentials☆82Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 9 months ago
- Examples of using the Atomic Simulation Environment☆36Updated 9 years ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago
- Python interface for VASP☆85Updated this week
- Python library written in C++ for calculation of local atomic structural environment☆64Updated 11 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆86Updated this week
- A physics computational framework for python and ipython☆38Updated 3 weeks ago
- JDFTx: software for joint density functional theory☆92Updated 2 months ago
- ☆70Updated 4 years ago
- ASE density-functional tight-binding calculator☆67Updated 6 months ago
- Course materials for NANO 106 - Crystallography of Materials☆35Updated 3 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆173Updated last week
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆54Updated 2 weeks ago