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Commits on Feb 10, 2021

• Reorganize test files (#40)

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  giovannidoni

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  7cf36ea

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Commits on Feb 5, 2021

• Add docstring to remaining bits and clean up formatting (#37)

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  giovannidoni

  and

  Giovanni Doni

  authored
  ac1d9d2

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Commits on Feb 3, 2021

• Add ns attr docstrings (#36)

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  giovannidoni

  authored
  67ce2ea

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• Enable simulation parameter editing (#35)

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  giovannidoni

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  ecbe35f

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Commits on Feb 1, 2021

• Move argument formatting (#34)

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  giovannidoni

  authored
  2b7d38c

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Commits on Jan 28, 2021

• Move sim settings (#31)

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  giovannidoni

  authored
  35f1c1c

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Commits on Jan 26, 2021

• Add gmx link in base image and add commands to run (still it takes too long) (#30)

  giovannidoni

  authored
  e7acc20

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• First implementation end2end (#29)

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  giovannidoni

  authored
  8ec802d

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Commits on Jan 21, 2021

• Validation (#28)

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  giovannidoni

  authored
  5c0aff1

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• Apply decorator (#27)

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  giovannidoni

  authored
  5866430

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• Add decorator to handle warnings (#26)

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  giovannidoni

  authored
  505306f

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• Add method for checking exec and tests, move eval_function (#25)

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  giovannidoni

  authored
  0a963e1

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Commits on Jan 20, 2021

• Io cleanup (#23)

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  giovannidoni

  and

  CharlyEmpereurmot

  authored
  b60dc9a

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• Add basic integration test scripts (#22)

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  giovannidoni

  authored
  2a3e6c7

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• Runner (#20)

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  giovannidoni

  and

  CharlyEmpereurmot

  authored
  fd5cb2b

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Commits on Jan 15, 2021

• Group scoring functions (#19)

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  giovannidoni

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  456ec83

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Commits on Dec 10, 2020

• Paper link updated

  CharlyEmpereurmot

  committed
  58e0951

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• Paper link updated

  CharlyEmpereurmot

  committed
  545f972

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Commits on Nov 26, 2020

• Merge pull request #16 from GMPavanLab/develop

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  CharlyEmpereurmot

  authored
  2ed8a81

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• Corrected limits on force constants + Better explanations in the help

  CharlyEmpereurmot

  committed
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Commits on Nov 24, 2020

• Merge pull request #15 from GMPavanLab/develop

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  CharlyEmpereurmot

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  30f9150

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• Fixed help description

  CharlyEmpereurmot

  committed
  4314fbc

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• Merge pull request #14 from GMPavanLab/develop

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  CharlyEmpereurmot

  authored
  3a6f796

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• Fixed scg_evaluate

  CharlyEmpereurmot

  committed
  df5d195

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Commits on Nov 23, 2020

• Merge pull request #13 from GMPavanLab/develop

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  CharlyEmpereurmot

  authored
  51924fa

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• Fixed -user_params when nb_particles is < 3 (happens for SuperCG sometimes)

  CharlyEmpereurmot

  committed
  b9aa949

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• Change version

  CharlyEmpereurmot

  committed
  e5de0dd

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• Fix issue scg_evaluate

  CharlyEmpereurmot

  committed
  1124158

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Commits on Nov 20, 2020

• Change version

  CharlyEmpereurmot

  committed
  f63d9e5

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• Merge pull request #12 from GMPavanLab/develop

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  CharlyEmpereurmot

  authored
  2696ca9

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• Change version

  CharlyEmpereurmot

  committed
  09b9c54

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• Change version

  CharlyEmpereurmot

  committed
  ef0ade8

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• Allow considering parameters from the input preliminary ITP instead of just starting from BI

  CharlyEmpereurmot

  committed
  a9fb876

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• Merge pull request #11 from GMPavanLab/user_input

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  CharlyEmpereurmot

  authored
  d3cd137

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Commits on Oct 12, 2020

• Faster calculations of the distributions

  CharlyEmpereurmot

  committed
  7c623c9

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