pierrehirel / atomsk
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
☆216Updated last week
Alternatives and similar repositories for atomsk:
Users that are interested in atomsk are comparing it to the libraries listed below
- LAMMPS inputs and data files☆255Updated 7 months ago
- A grain boundary generation code☆66Updated last year
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆68Updated 4 months ago
- LAMMPS tutorials for both beginners and advanced users☆114Updated 2 weeks ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆82Updated 3 years ago
- New ASE compliant Python interface to VASP☆128Updated 2 years ago
- Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt☆101Updated 2 years ago
- LAMMPS tutorials for Beginners☆385Updated 2 years ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆73Updated 3 months ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆284Updated last month
- Materials science with Python at the atomic-scale☆205Updated last week
- Software for generating machine-learning interatomic potentials for LAMMPS☆164Updated 3 weeks ago
- ELATE: Elastic tensor analysis☆83Updated last year
- A simulation package of phonon-phonon interaction related properties☆137Updated this week
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆232Updated last week
- Solvation model for the plane wave DFT code VASP.☆149Updated 9 months ago
- Some scripting tools used for lammps input or output☆58Updated 2 years ago
- Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial gr…☆24Updated this week
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆172Updated 8 years ago
- Atomistic Manipulation Toolkit☆87Updated 2 months ago
- Phonon code☆389Updated this week
- Ab initio simulator for thermal transport and lattice anharmonicity☆167Updated last week
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆132Updated 3 weeks ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆182Updated this week
- Phonon anharmonicity analysis from molecular dynamics☆124Updated 6 months ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆181Updated this week
- p4vasp, the VASP Visualization Tool☆141Updated 2 years ago
- i-PI: a universal force engine☆257Updated this week
- n2p2 - A Neural Network Potential Package☆235Updated last month
- A Python package for manipulating atomistic data of software in computational science☆209Updated last week