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CHANGELOG.md

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qmpy changelog

1.3.0 - 11/05/2019

  • Django upgrade to 1.8.18 from 1.6.xx
    • Model instance creation is done via Class Managers because model instace auto-save was removed to optimize memory
    • The command - makemigrations is used to auto-detect model changes. It i used for building in travis
    • Django Querysets are implemented for data filtering
  • RESTful framework added
    • Serialized DFT data availability with both default OQMD and OPTiMaDe specified keyword-sets.
    • Lark Parser to convert raw queries to logical Django Queries
    • Pagination is implemented while retreiving RESTful query results
  • Spglib upgraded to >1.9
    • Removed dependency on pyspglib since it is no longer maintained by its developer(s)
    • Significant changes to the internal implementation of Structure model, even though it's not expected to be affect the end-user
  • More unit tests
    • duplicate entry detection, structure transformations
  • Change in UI of the landing page
    • Removed the on-the-fly calculations of # of entries while loading the oqmd.org main page
    • Removed the twitter based phase lookup instructions since it's no longer operational
  • Optimized the phase diagram and stability plot generation for compounds
    • Stability plot is now generated from the PhaseData that was already collected for generating phase diagram, instead of performing a second database lookup

1.2.0 - 09/28/2018

1.1.0 - 05/02/2018