Code

Introduces the reporting subpackage#89

Code

Merged

craabreu merged 16 commits intomainRedesignScience/cvpack:mainfrom reports-subpackageRedesignScience/cvpack:reports-subpackageCopy head branch name to clipboardApr 10, 2024

+668-313

Commits

Commits on Apr 8, 2024

• Implemented collective variable reporter

  craabreu

  committed
  275ccdc

  Copy full SHA for 275ccdc

• Added parameter derivative calculation method for metaCVs

  craabreu

  committed
  7e282b8

  Copy full SHA for 7e282b8

• Included MetaCV reporter

  craabreu

  committed
  05c7df8

  Copy full SHA for 05c7df8

• Updated doc building

  craabreu

  committed
  eccd3da

  Copy full SHA for eccd3da

• Shortened reporter class names

  craabreu

  committed
  9c9e35c

  Copy full SHA for 9c9e35c

• Included unit tests for reporters subpackage

  craabreu

  committed
  cedd3f4

  Copy full SHA for cedd3f4

• Removed old reporter class

  craabreu

  committed
  08df765

  Copy full SHA for 08df765

Commits on Apr 9, 2024

• Removed unused imports

  craabreu

  committed
  9e00c3a

  Copy full SHA for 9e00c3a

• Fixed bug

  craabreu

  committed
  3f8066b

  Copy full SHA for 3f8066b

• Implemented StateDataReporter extension

  craabreu

  committed
  e932d70

  Copy full SHA for e932d70

• Changed docstrings

  craabreu

  committed
  591b3a6

  Copy full SHA for 591b3a6

• Made MetaCVWrite consistent with CVWriter

  craabreu

  committed
  3eb2922

  Copy full SHA for 3eb2922

Commits on Apr 10, 2024

• Merge branch 'main' into reports-subpackage

  craabreu

  committed
  826eb70

  Copy full SHA for 826eb70

• Simplified CustomWriter method signatures

  craabreu

  committed
  1ed650e

  Copy full SHA for 1ed650e

• Allows for custom writer initialization

  craabreu

  committed
  166f6f1

  Copy full SHA for 166f6f1

• Fixed docstrings

  craabreu

  committed
  cf49297

  Copy full SHA for cf49297