initial README.md

README.md

+# 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.
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