srtee / lammps-USER-CONP2Links
updated constant potential plugin for LAMMPS
☆39Updated 2 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.☆61Updated 5 months ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆28Updated 2 years ago
- ☆45Updated 7 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 8 months ago
- A... M... L...☆53Updated 3 years ago
- Tutorials related to GPUMD☆67Updated this week
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Updated 6 years ago
- Tutorials on CP2K calculations☆60Updated 3 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆53Updated last year
- Python package to analyse the structural dynamics of perovskites☆47Updated 3 months ago
- ☆45Updated 5 years ago
- ☆71Updated 7 months ago
- ASE interface for fully constant potential with VASP☆40Updated last year
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Updated last year
- ☆30Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆65Updated last year
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆23Updated last year
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Updated 4 years ago
- ☆60Updated last year
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆71Updated last year
- ☆111Updated 3 years ago
- ☆72Updated 2 years ago
- A Python library and command line interface for automated free energy calculations☆86Updated last week
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆30Updated 8 months ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆44Updated last month
- Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.☆34Updated 3 weeks ago
- A python interface of NEP☆64Updated last month