All pull requests

Pull requests

• Rosetta qm weights files

  still-making-changes
  #69·NooraAz opened May 6, 2024Contributor·

  ·

• Smturzo/rosetta gamess doc update

  still-making-changes
  #68·smturzo opened May 3, 2024Member·

  ·

• GAMESS Electric Fields

  #67·NooraAz opened May 3, 2024Contributor·

  ·

• Geometry optimization three regions

  #66·NooraAz opened May 2, 2024Contributor·

  ·
  3

• changing file name for Building Documentation

  enhancementReady-for-review
  #65·NooraAz opened May 2, 2024Contributor·

  ·
  6

• adding common issues, #1, related to issue #6396

  Ready-for-review
  #64·NooraAz opened Apr 30, 2024Contributor·

  ·

• Add documentation for the ParetoFront ensemble metric

  enhancement
  #54·vmullig opened Apr 8, 2022Member·3 tasks·

  ·
  

• Add documentation for the PNear ensemble metric

  enhancement
  #53·vmullig opened Mar 11, 2022Member·3 of 6 tasks·

  ·
  

• Adding documentation for the PrincipalComponentAnalysis EnsembleMetric

  enhancement
  #52·vmullig opened Feb 25, 2022Member·7 tasks·

  ·
  

• Update documentation for EnsembleMetrics with MPI

  enhancement
  #51·vmullig opened Feb 25, 2022Member·1 task·

  ·

• Add documentation for EnsembleMetrics

  Done and awaiting merge of another PRenhancement
  #50·vmullig opened Feb 8, 2022Member·13 of 15 tasks·

  ·
  4

  

• Add documentation for using Rosetta with QM packages

  enhancementstill-making-changes
  #48·vmullig opened Nov 17, 2021Member·9 of 37 tasks·

  ·
  

• Update Tensorflow docs to reflect change in version

  enhancement
  #47·vmullig opened Jun 8, 2021Member·

  ·
  

• Document new perturber options for GeneralizedKIC and dibenzyl ether crosslinker in the CrosslinkerMover

  enhancement
  #46·vmullig opened May 26, 2021Member·

  ·
  

• Updating documentation for SimpleThreadingMover.

  #36·vmullig opened Sep 17, 2019Member·

  ·