zhenxingwang / lammps-conp
Constant potential method in LAMMPS
☆49Updated last year
Alternatives and similar repositories for lammps-conp:
Users that are interested in lammps-conp are comparing it to the libraries listed below
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 7 years ago
- Examples demonstrating how to reproduce the results in the paper.☆56Updated 6 months ago
- Gromacs to Lammps simulation converter☆78Updated last year
- ☆37Updated 2 months ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 6 years ago
- ☆108Updated 2 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated last year
- On-the-fly calculation of Transport Properties☆25Updated last year
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆61Updated 8 months ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆25Updated last month
- ☆41Updated 6 years ago
- A... M... L...☆47Updated 3 years ago
- [UNMAINTAINED] Lammps data file creation☆26Updated 6 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆54Updated 5 years ago
- A Python library and command line interface for automated free energy calculations☆76Updated 2 weeks ago
- Force field for ionic liquids☆63Updated 9 months ago
- ☆67Updated 2 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆52Updated last month
- ☆25Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆47Updated 6 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- cp2k postprocessing tools☆66Updated 2 months ago
- Convert PDB files to LAMMPS data and force field files.☆18Updated 7 years ago
- Generating Deep Potential with Python☆66Updated last week
- LAMMPS interface for phonon calculations using phonopy☆86Updated 8 months ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆25Updated 6 years ago
- ☆34Updated 3 weeks ago