simongravelle / lammps-input-filesLinks
LAMMPS inputs and data files
☆263Updated 10 months ago
Alternatives and similar repositories for lammps-input-files
Users that are interested in lammps-input-files are comparing it to the libraries listed below
Sorting:
- LAMMPS tutorials for Beginners☆402Updated 2 years ago
- LAMMPS tutorials for both beginners and advanced users☆119Updated this week
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆294Updated last week
- A Python package for manipulating atomistic data of software in computational science☆215Updated last week
- n2p2 - A Neural Network Potential Package☆238Updated 5 months ago
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆229Updated last month
- Software for generating machine-learning interatomic potentials for LAMMPS☆173Updated 3 weeks ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 3 years ago
- ☆110Updated 2 years ago
- Sample codes for my book on molecular dynamics simulation☆248Updated 6 months ago
- Tool to build force field input files for molecular simulation☆176Updated 6 months ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆155Updated 2 years ago
- Some scripting tools used for lammps input or output☆59Updated 3 months ago
- ☆222Updated 5 years ago
- Solvation model for the plane wave DFT code VASP.☆158Updated last year
- A grain boundary generation code☆73Updated last year
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- i-PI: a universal force engine☆267Updated last week
- LAMMPS input from lammpstutorials.github.io☆49Updated 2 weeks ago
- Useful scripts for VASP☆192Updated 3 years ago
- 我盗版我自己☆71Updated 2 years ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆368Updated 3 months ago
- Classical molecular simulation code☆141Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 9 months ago
- Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt☆103Updated 2 years ago
- cp2k postprocessing tools☆68Updated 2 months ago
- ☆39Updated 6 months ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 9 months ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆244Updated 4 months ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆82Updated 2 months ago