Phasecalculator

Phasecalculator is a python package.

It is designed to automate calculation of FGIPs, solvent similarity and VLE informatio n using SSIMPLE, pulling together analysis and calculation modules in a higher l evel repository for easier use by experimental chemists.

How do I get set up?

• Summary of set up
• Configuration
• Dependencies
• Database configuration
• How to run tests
• Deployment instructions

Contribution guidelines

• Writing tests
• Code review
• Other guidelines

Who do I talk to?

Mark Driver created this repository as a summary of work completed during his PhD.

Licensing

This is released under the AGPLv3 license.