Suite of computational materials science tools
Project description
[  ](https://travis-ci.org/wolverton-research-group/qmpy) [  ](https://badge.fury.io/py/qmpy)
A toolkit for storing crystal structure data, automating density-functional calculations, handling computational resources and performing thermodynamic analysis. qmpy is used to run and maintain the Open Quantum Materials Database ([oqmd.org](http://www.oqmd.org)).
Install qmpy with pip:
pip install qmpy
For more complete documentation, see: http://oqmd.org/static/docs/index.html
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
Built Distribution
File details
Details for the file qmpy-1.4.0.tar.gz.
File metadata
- Download URL: qmpy-1.4.0.tar.gz
- Upload date:
- Size: 14.6 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.2.0 pkginfo/1.5.0.1 requests/2.23.0 setuptools/44.0.0.post20200106 requests-toolbelt/0.9.1 tqdm/4.50.0 CPython/3.7.6
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 6547c16c0315ba08acd9ab9e73143a08101f76644b768b968a862d71a171ffce |
|
| MD5 | bfbc07f245e78d9594a29d359101f270 |
|
| BLAKE2b-256 | 85d98a1f48bf539366b423311aa6f592dac321c07aafa17b0dc8e98661beba48 |
File details
Details for the file qmpy-1.4.0-py3-none-any.whl.
File metadata
- Download URL: qmpy-1.4.0-py3-none-any.whl
- Upload date:
- Size: 12.7 MB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.2.0 pkginfo/1.5.0.1 requests/2.23.0 setuptools/44.0.0.post20200106 requests-toolbelt/0.9.1 tqdm/4.50.0 CPython/3.7.6
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 663eeab0c3563ca07c7e893920f8358f85d246acf686ee78c82f48717291614f |
|
| MD5 | 5ae7c1c3424a48ee06a52ad5274d0a3b |
|
| BLAKE2b-256 | db7cc9358af00e49ad369005f4c8d677ed3852d653e83c12de2d6b13b478a2fb |
