sekocha / lammps-polymlp-package
A user package of LAMMPS software enabling simulations using linearized machine learning potentials
☆8Updated 2 months ago
Alternatives and similar repositories for lammps-polymlp-package
Users that are interested in lammps-polymlp-package are comparing it to the libraries listed below
Sorting:
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- ☆19Updated 4 months ago
- ☆19Updated 11 months ago
- TDEP Tutorials☆29Updated last month
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 3 months ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- Molecular dynamics package designed for the SIESTA DFT code.☆14Updated last month
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆18Updated this week
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 2 weeks ago
- Visualizations☆13Updated 3 years ago
- Interfacial Phonon code☆26Updated 2 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- ☆20Updated last year
- A general parser for VASP☆13Updated this week
- python workflow for GW-BSE calculation☆28Updated last year
- A command line tool written in Python/C++ for finding optimized SQS structures☆46Updated this week
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- Geometric analysis of crystal structures☆15Updated 2 years ago
- ☆11Updated 5 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated last month
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated 7 months ago
- Tools for Phono(3)py power users.☆33Updated last year
- Utility for applying the distortion symmetry method.☆28Updated last year
- ☆16Updated 3 years ago
- ☆16Updated this week
- Quick tools for materials chemistry☆17Updated 11 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆17Updated last month
- Minimum-strain symmetrization of Bravais lattices☆17Updated 5 years ago
- ☆25Updated 4 months ago