pierrehirel / atomsk
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
☆204Updated 3 weeks ago
Related projects ⓘ
Alternatives and complementary repositories for atomsk
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆82Updated 3 years ago
- A grain boundary generation code☆56Updated last year
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆59Updated this week
- LAMMPS inputs and data files☆232Updated last month
- Phonon anharmonicity analysis from molecular dynamics☆114Updated 2 weeks ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆152Updated 2 months ago
- LAMMPS tutorials for both beginners and advanced users☆99Updated last month
- Atomistic Manipulation Toolkit☆80Updated 6 months ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆257Updated 3 weeks ago
- New ASE compliant Python interface to VASP☆122Updated 2 years ago
- Materials science with Python at the atomic-scale☆188Updated last month
- Ab initio simulator for thermal transport and lattice anharmonicity☆139Updated 2 weeks ago
- Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial gr…☆21Updated 2 years ago
- LAMMPS tutorials for Beginners☆335Updated last year
- Tool to build force field input files for molecular simulation☆149Updated last month
- n2p2 - A Neural Network Potential Package☆223Updated last month
- Some scripting tools used for lammps input or output☆52Updated 2 years ago
- Phonon code☆357Updated this week
- Solvation model for the plane wave DFT code VASP.☆136Updated 4 months ago
- A Python package for manipulating atomistic data of software in computational science☆202Updated this week
- Open-source library for analyzing the results produced by ABINIT☆116Updated this week
- ELATE: Elastic tensor analysis☆70Updated 7 months ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆214Updated last month
- ☆12Updated 7 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆146Updated 8 months ago
- Examples demonstrating how to reproduce the results in the paper.☆49Updated 2 weeks ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆140Updated this week
- Python Cp2k interface☆90Updated 2 years ago
- ☆199Updated 4 years ago
- Atomic interaction potentials based on artificial neural networks☆116Updated 2 years ago