https://github.com/brenhinkeller/pyperplex

Python tools for automating phase equilibrium calculations. Requires a working installation of James Connolly's Perple_X program.
https://github.com/brenhinkeller/pyperplex

Last synced: 20 days ago
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Python tools for automating phase equilibrium calculations. Requires a working installation of James Connolly's Perple_X program.

• Host: GitHub
• URL: https://github.com/brenhinkeller/pyperplex
• Owner: brenhinkeller
• License: mit
• Created: 2018-01-28T05:36:22.000Z (almost 7 years ago)
• Default Branch: master
• Last Pushed: 2018-02-01T23:18:45.000Z (almost 7 years ago)
• Last Synced: 2023-10-20T18:28:49.747Z (about 1 year ago)
• Language: Python
• Homepage:
• Size: 77.1 KB
• Stars: 3
• Watchers: 5
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# PyPerplex

Python tools for running PerpleX calculations

Should be able to install with

```shell 

$ pip install -e PyPerplex/

```

or similar. 

This interface for requires a working installation of James Connolly's Perple_X program, available from http://www.perplex.ethz.ch

Similarly, the optional MELTS interface requires a working installation of alphaMELTS, available from https://magmasource.caltech.edu/alphamelts/