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Commits on Jun 25, 2024

• Fix error in velocity reporting for nc and ncdf file types. (#11)

  orionarcher

  authored
  86e8bdf

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Commits on Apr 5, 2024

• Add writer_kwargs to MDAReporter and speed up testing (#9)

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  orionarcher

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  d2d1b1d

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Commits on Jan 3, 2024

• Merge pull request #3 from IAlibay/versioningit

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  sef43

  authored
  d665b3d

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Commits on Jan 2, 2024

• Switch to versioningit

  IAlibay

  committed
  7567dcc

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Commits on May 25, 2023

• Update README.md

  sef43

  authored
  56be80f

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Commits on May 24, 2023

• Update README.md

  sef43

  authored
  90b9b3f

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• Merge pull request #2 from sef43/cookiecutter

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  sef43

  authored
  842c65e

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• remove pypi build and windows from CI

  sef43

  committed
  e826f76

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• update README

  sef43

  committed
  1f20d3f

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• switch to cookie-cutter template

  sef43

  committed
  7a5e704

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• Revert "update CI for folder layout"

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  sef43

  committed
  99071de

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• Revert "change folder layout"

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  sef43

  committed
  393e4da

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• update CI for folder layout

  sef43

  committed
  428b384

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• change folder layout

  sef43

  committed
  fa4fe94

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• Improve testing + remove OpenMM dep

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  sef43

  committed
  4dcea72

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Commits on May 22, 2023

• Update box vectors

  sef43

  committed
  fbc21ea

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Commits on Apr 5, 2023

• Update README.md

  sef43

  authored
  32808c0

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• add Github actions CI

  sef43

  committed
  3268717

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• add tests and benchmarks

  sef43

  committed
  5e9415c

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Commits on Mar 31, 2023

• Merge pull request #1 from richardjgowers/patch-1

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  sef43

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  4fda87a

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Commits on Mar 27, 2023

• remove needless "is" from selection string

  richardjgowers

  authored
  04858fd

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Commits on Mar 2, 2023

• add example

  sef43

  committed
  2402386

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• Update README.md

  sef43

  authored
  84288bf

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Commits on Feb 27, 2023

• add links

  sef43

  committed
  128b441

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• include attribution

  sef43

  committed
  066392c

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• Implement MDAReporter

  sef43

  committed
  f5008e3

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• Initial commit

  sef43

  authored
  67cbb1f

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