iRASPA / RASPA2Links
Classical molecular simulation code
☆141Updated last year
Alternatives and similar repositories for RASPA2
Users that are interested in RASPA2 are comparing it to the libraries listed below
Sorting:
- ☆111Updated 2 years 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
- Gromacs to Lammps simulation converter☆86Updated last year
- cp2k postprocessing tools☆70Updated 4 months ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆149Updated last year
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆159Updated 2 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆71Updated this week
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆69Updated last year
- Examples demonstrating how to reproduce the results in the paper.☆59Updated 11 months ago
- ☆61Updated 4 years ago
- On-the-fly calculation of Transport Properties☆26Updated 2 years ago
- Python Cp2k interface☆98Updated 3 years ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆55Updated last week
- LAMMPS input from lammpstutorials.github.io☆53Updated this week
- Software for generating machine-learning interatomic potentials for LAMMPS☆178Updated last month
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆64Updated 6 months ago
- Constant potential method in LAMMPS☆52Updated 2 years ago
- LAMMPS tutorials for both beginners and advanced users☆122Updated this week
- A Python library and command line interface for automated free energy calculations☆82Updated 2 weeks ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆127Updated last month
- Tutorials on CP2K calculations☆56Updated 3 years ago
- A... M... L...☆50Updated 3 years ago
- Tool to build force field input files for molecular simulation☆181Updated 7 months ago
- ☆69Updated 2 years ago
- General purpose tools for high-throughput catalysis☆96Updated 4 months ago
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆47Updated 4 months ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago