A LAMMPS wrapper using pymatgen
Project description
Lammps Wrapper
This is a package that I wrote to write input files for LAMMPS and
analyze them because I was not happy with the one built inside of
pymatgen
. It has built in calculators for running many lammps
calculations in parallel (many short small LAMMPS calculations).
Now that I have put some serious effort into my cython wrapper to LAMMPS. I would recommend it instead. You get significantly better performance and LAMMPS is now built into the python process. lammps-cython.
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
pymatgen-lammps-0.4.5.tar.gz
(18.8 kB
view details)
Built Distribution
File details
Details for the file pymatgen-lammps-0.4.5.tar.gz
.
File metadata
- Download URL: pymatgen-lammps-0.4.5.tar.gz
- Upload date:
- Size: 18.8 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/40.0.0 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.6.6
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | ea33f26a7e2a86b83e4c6ab666cf7e6132235a712c986b3fd3a62848b4e9a581 |
|
MD5 | fac2dbbf12d554d20f1af57467176f29 |
|
BLAKE2b-256 | 3d082b538b89d6e9cb92d00498605aed8ef629bdfb2ac5e350d086537653045d |
File details
Details for the file pymatgen_lammps-0.4.5-py3-none-any.whl
.
File metadata
- Download URL: pymatgen_lammps-0.4.5-py3-none-any.whl
- Upload date:
- Size: 26.5 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/40.0.0 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.6.6
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 4988ae6e766d7fc5e4e271744633f5ec65c4135b4812d296d4468304bd77e0d6 |
|
MD5 | f9171e5aa02563cc88b758bad41b6ed4 |
|
BLAKE2b-256 | c76fc6b85917497568f5badb1df31187d026c62720a57425f2a3a67ad244c07c |