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Recent Releases of flory

flory - 0.3.0

What's Changed

  • Use equimolar composition as default for CanonicalEnsemble by @david-zwicker in https://github.com/qiangyicheng/flory/pull/11
  • feat: add convergence info in results by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/12
  • docs: revise paper to include Statement of need by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/9
  • Added get_uniform_random_composition function by @david-zwicker in https://github.com/qiangyicheng/flory/pull/10
  • Add equilibration_error to FreeEnergyBase by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/15
  • feat: allow zero fractions for methods of FreeEnergy by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/17
  • Add CONTRIBUTING.md by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/24
  • style: format code by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/25
  • Improve the installation of optional dependencies by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/26
  • Add Installation in documentation by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/27
  • docs: revise manuscript by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/28
  • docs: update manuscript by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/29
  • Revise the manuscript by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/30

Full Changelog: https://github.com/qiangyicheng/flory/compare/0.2.0...0.3.0

Scientific Software - Peer-reviewed - Python
Published by qiangyicheng over 1 year ago

flory - 0.2.0

What's Changed

  • add installation method from conda by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/7
  • docs: revised paper by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/6
  • Support polydispersed systems by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/8

Full Changelog: https://github.com/qiangyicheng/flory/compare/0.1.0...0.2.0

Scientific Software - Peer-reviewed - Python
Published by qiangyicheng almost 2 years ago

flory - 0.1.0

Major Changes

  • The package is now fully refactored to support broader range of free energy, ensemble and constraints.

Other Changes

  • chore: Stylistic changes by @david-zwicker in https://github.com/qiangyicheng/flory/pull/1
  • chore: Revised readme file by @david-zwicker in https://github.com/qiangyicheng/flory/pull/2
  • chore: add script and action for building joss paper draft by @qiangyicheng in https://github.com/qiangyicheng/flory/pull/3
  • Multiple smaller changes by @david-zwicker in https://github.com/qiangyicheng/flory/pull/4
  • Changed the return type from a tuple to a separate class by @david-zwicker in https://github.com/qiangyicheng/flory/pull/5

Full Changelog: https://github.com/qiangyicheng/flory/compare/0.0.0...0.1.0

Scientific Software - Peer-reviewed - Python
Published by qiangyicheng almost 2 years ago