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Commits on Feb 2, 2024

• Bump to version 0.1.1

  craabreu

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  915a4f2

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• Forces cleared at start and after updating parameters in context (#14)

  

  Charlles Abreu

  authored
  2c5fb9c

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Commits on Feb 1, 2024

• Adds method for copy and deepcopy to work with CompositeRMSDForce (#13)

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  Charlles Abreu

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  c9500fb

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Commits on Jan 30, 2024

• Removes conda build for osx-arm64 platform (#12)

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  Charlles Abreu

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  54a74c0

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• Version 0.1.0

  craabreu

  committed
  3bdb53e

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Commits on Jan 29, 2024

• Transferred hosting to Redesign Science (#11)

  

  Charlles Abreu

  authored
  d1c7c45

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• Fixed Docs workflow

  

  Charlles Abreu

  committed
  ded63b9

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• Includes doctest for CompositeRMSDForce (#10)

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  Charlles Abreu

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  65a9b94

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• Runs GH Actions on Apple Silicon MacOS runner (#9)

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Commits on Jan 28, 2024

• Changes class name to CompositeRMSDForce (#8)

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  Charlles Abreu

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  ba96779

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Commits on Jan 27, 2024

• Included Python test

  

  Charlles Abreu

  committed
  8d20cee

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• Fixed Python API

  

  Charlles Abreu

  committed
  3b3678c

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Commits on Jan 26, 2024

• Removed py.typed file

  

  Charlles Abreu

  committed
  128b209

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• Fixed python wrapping procedure

  

  Charlles Abreu

  committed
  456937f

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• Adds workflow for building conda packages (#6)

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  Charlles Abreu

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  e20fa9f

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• Changes plugin name (#5)

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  Charlles Abreu

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  fb8e284

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• Creates recipe for building conda package (#4)

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  Charlles Abreu

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  b9c32cf

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Commits on Jan 24, 2024

• Implements concerted rmsd calculation (#3)

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  Charlles Abreu

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  ed4ec69

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• Renamed source folder

  

  Charlles Abreu

  committed
  70379c6

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• Delete unused scripts and other files

  

  Charlles Abreu

  committed
  b68c06a

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• Deleted unused JAMA files

  

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  committed
  e17363b

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• Updates GH Actions Workflows (#2)

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  Charlles Abreu

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  3fdcda8

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• Fixed Docs

  

  Charlles Abreu

  committed
  8db6b74

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• Added unit tests

  

  Charlles Abreu

  committed
  925fe08

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• Deleted every force but ConcertedRMSDForce

  

  Charlles Abreu

  committed
  751210d

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• Renamed files with new plugin name

  

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  committed
  c711103

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• Updated contents with new plugin name

  

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  committed
  16b091c

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• Concerted rmsd force (#1)

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  Charlles Abreu

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  aa71738

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Commits on Jan 14, 2024

• Uses OpenMM 8.1 as the basis for implementing ExtendedCustomCVForce (#7)

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  craabreu

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  362730d

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Commits on Jan 11, 2024

• Changes CustomSummation behavior when adding terms and updating parameters (#6)

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  craabreu

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  b300385

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Commits on Dec 22, 2023

• Adds the CustomSummation class to the Python API (#5)

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  craabreu

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  c08e9b4

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Commits on Dec 21, 2023

• Includes a class for customizing summation functions (#4)

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  craabreu

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  93fdfcf

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Commits on Dec 18, 2023

• Includes Python wrapper for ExtendedCustomCVForce (#2)

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  craabreu

  authored
  40b20e0

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• Removed assertion that depends on FFT package

  

  Charlles Abreu

  committed
  f6ffa0a

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Commits on Dec 17, 2023

• Adds token to enable documentation deployment (#3)

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  craabreu

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  a2563d7

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