srtee / lammps-USER-CONP2Links
updated constant potential plugin for LAMMPS
☆39Updated 3 years ago
Alternatives and similar repositories for lammps-USER-CONP2
Users that are interested in lammps-USER-CONP2 are comparing it to the libraries listed below
Sorting:
- Constant potential method in LAMMPS☆52Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆62Updated 7 months ago
- ☆45Updated 7 years ago
- Examples demonstrating how to reproduce the results in the paper.☆70Updated last year
- Tutorials on CP2K calculations☆62Updated 4 years ago
- ☆75Updated 9 months ago
- ☆30Updated 3 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆44Updated 2 weeks ago
- Training code used to optimize reaxff force field (via LAMMPS)☆20Updated 8 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆28Updated 2 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆73Updated last year
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Updated 6 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆40Updated last month
- ☆62Updated last year
- ASE interface for fully constant potential with VASP☆42Updated last year
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆51Updated 3 months ago
- ☆112Updated 3 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 4 years ago
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- ☆73Updated 2 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆44Updated 11 months ago
- On-the-fly calculation of Transport Properties☆28Updated 2 years ago
- A... M... L...☆52Updated 3 years ago
- ☆46Updated 5 years ago
- ☆63Updated last year
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆41Updated last week
- ☆69Updated 4 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Updated 2 years ago
- Gromacs to Lammps simulation converter☆90Updated 2 years ago