https://github.com/lanl/lava
Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with LAMMPS and VASP. The name Lava is derived from the “La” in LAMMPS and “va” in VASP. It provides a set of classes and functions to generate configurations, run lammps/vasp calculation, retrieve the output, postprocess and plot the results. All the above tasks are hard-coded into the script, without the need to call additional libraries.
https://github.com/lanl/lava
Last synced: about 1 year ago
JSON representation
Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with LAMMPS and VASP. The name Lava is derived from the “La” in LAMMPS and “va” in VASP. It provides a set of classes and functions to generate configurations, run lammps/vasp calculation, retrieve the output, postprocess and plot the results. All the above tasks are hard-coded into the script, without the need to call additional libraries.
- Host: GitHub
- URL: https://github.com/lanl/lava
- Owner: lanl
- License: bsd-3-clause
- Created: 2022-05-31T00:01:15.000Z (about 4 years ago)
- Default Branch: main
- Last Pushed: 2022-05-31T00:09:41.000Z (about 4 years ago)
- Last Synced: 2024-06-27T00:19:59.159Z (almost 2 years ago)
- Language: Python
- Homepage:
- Size: 14.9 MB
- Stars: 14
- Watchers: 7
- Forks: 3
- Open Issues: 0