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
- Examples demonstrating how to reproduce the results in the paper.☆53Updated 5 months ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 7 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆47Updated last week
- ☆37Updated 2 months ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 5 years ago
- ☆108Updated 2 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated last year
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆52Updated last year
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆60Updated 7 months ago
- ☆47Updated last year
- 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…☆53Updated 5 years ago
- On-the-fly calculation of Transport Properties☆24Updated last year
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- ☆41Updated 6 years ago
- Tutorials on CP2K calculations☆49Updated 3 years ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆86Updated this week
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆38Updated this week
- [UNMAINTAINED] Lammps data file creation☆26Updated 6 years ago
- A python interface of NEP☆50Updated 3 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- A Python library and command line interface for automated free energy calculations☆75Updated 4 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆36Updated last month
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆39Updated this week
- A... M... L...☆47Updated 3 years ago
- Generating Deep Potential with Python☆66Updated last week
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- Gromacs to Lammps simulation converter☆76Updated last year
- ☆66Updated last year