simongravelle / lammps-input-filesLinks
LAMMPS inputs and data files
☆274Updated last year
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☆408Updated 2 years ago
- LAMMPS tutorials for both beginners and advanced users☆122Updated last week
- A Python package for manipulating atomistic data of software in computational science☆220Updated this week
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆302Updated last month
- n2p2 - A Neural Network Potential Package☆239Updated 6 months ago
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆231Updated last month
- Software for generating machine-learning interatomic potentials for LAMMPS☆178Updated last month
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 3 years ago
- Sample codes for my book on molecular dynamics simulation☆255Updated 2 weeks ago
- Solvation model for the plane wave DFT code VASP.☆162Updated last week
- ☆111Updated 2 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆159Updated 2 years ago
- Tool to build force field input files for molecular simulation☆182Updated 7 months ago
- A grain boundary generation code☆76Updated 2 years ago
- ☆225Updated 5 years ago
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- LAMMPS input from lammpstutorials.github.io☆53Updated last week
- i-PI: a universal force engine☆271Updated this week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆216Updated 3 weeks ago
- Some scripting tools used for lammps input or output☆60Updated 4 months ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆370Updated this week
- Useful scripts for VASP☆193Updated 3 years ago
- 我盗版我自己☆72Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆132Updated last week
- Anharmonic Lattice Dynamics☆163Updated this week
- ☆124Updated 6 years ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆82Updated 4 months ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆176Updated 9 years ago
- Heavyweight plotting tools for ab initio calculations☆228Updated 5 months ago
- Classical molecular simulation code☆142Updated last year