pierrehirel / atomskLinks
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
☆231Updated 3 weeks ago
Alternatives and similar repositories for atomsk
Users that are interested in atomsk are comparing it to the libraries listed below
Sorting:
- LAMMPS inputs and data files☆269Updated 11 months ago
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- Phonon code☆428Updated this week
- Materials science with Python at the atomic-scale☆217Updated this week
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆299Updated last month
- LAMMPS tutorials for both beginners and advanced users☆121Updated last week
- LAMMPS tutorials for Beginners☆407Updated 2 years ago
- A grain boundary generation code☆75Updated 2 years ago
- VSCODE extension for language support of LAMMPS scripts☆51Updated 2 weeks ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆75Updated 8 months ago
- C library for finding and handling crystal symmetries☆334Updated this week
- ELATE: Elastic tensor analysis☆84Updated last year
- Software for generating machine-learning interatomic potentials for LAMMPS☆176Updated 2 weeks ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆82Updated 3 months ago
- ☆223Updated 5 years ago
- n2p2 - A Neural Network Potential Package☆239Updated 6 months ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 3 years ago
- Atomistic Manipulation Toolkit☆90Updated last month
- Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial gr…☆28Updated last week
- A Python library for electronic structure pre/post-processing☆188Updated this week
- i-PI: a universal force engine☆269Updated 3 weeks ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆260Updated 2 weeks ago
- Open-source library for analyzing the results produced by ABINIT☆126Updated this week
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆149Updated 3 weeks ago
- A Python package for manipulating atomistic data of software in computational science☆218Updated this week
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆246Updated 4 months ago
- DFTB+ general package for performing fast atomistic simulations☆386Updated 3 weeks ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆212Updated last week
- Solvation model for the plane wave DFT code VASP.☆160Updated last year
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆238Updated 2 weeks ago