MaginnGroup / PyLATLinks
☆111Updated 3 years ago
Alternatives and similar repositories for PyLAT
Users that are interested in PyLAT are comparing it to the libraries listed below
Sorting:
- Examples demonstrating how to reproduce the results in the paper.☆68Updated last year
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆64Updated 9 months ago
- Gromacs to Lammps simulation converter☆86Updated 2 years ago
- cp2k postprocessing tools☆74Updated last week
- 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
- ☆39Updated 2 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆54Updated last year
- Tutorials on CP2K calculations☆60Updated 4 years ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Updated last year
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆72Updated last year
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- ☆50Updated last week
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆161Updated 2 years ago
- Tool to build force field input files for molecular simulation☆185Updated last week
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- A... M... L...☆53Updated 3 years ago
- Python Cp2k interface☆100Updated 3 years ago
- Atomic interaction potentials based on artificial neural networks☆126Updated last week
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- On-the-fly calculation of Transport Properties☆27Updated 2 years ago
- ☆62Updated last year
- LAMMPS tutorials for both beginners and advanced users☆129Updated 2 months ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆179Updated 2 months ago
- A Python library and command line interface for automated free energy calculations☆86Updated last week
- LAMMPS interface for phonon calculations using phonopy☆91Updated last month
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆28Updated 2 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆95Updated this week