Issues

• Should Integrator Validation Use Same Integrator as Production?

  shirtsgroup/physical_validation#253 · Filter by author EidRashed opened on Jun 29, 2025
  1

• Equipartition test with OpenMM output.

  shirtsgroup/physical_validation#252 · Filter by author EidRashed opened on Jun 15, 2025
  1

• Update versioneer?

  shirtsgroup/physical_validation#250 · Filter by author lilyminium opened on Dec 4, 2024

• GROMACS build issues causing CI failures

  shirtsgroup/physical_validation#233 · Filter by author mattwthompson opened on Oct 10, 2023

• Rewrite Data Classes Using Pydantic

  improvementnew feature
  shirtsgroup/physical_validation#71 · Filter by author SimonBoothroyd opened on Apr 28, 2020 · Future
  5

• Remove legacy version shipped with GROMACS

  shirtsgroup/physical_validation#68 · Filter by author ptmerz opened on Apr 28, 2020 · Future
  

• Check / prove that integrator test is valid for temperature / pressure coupling

  documentation
  shirtsgroup/physical_validation#67 · Filter by author ptmerz opened on Apr 28, 2020 · Future
  1

  

• Investigate physical validation of anisotropic pressure coupling

  new feature
  shirtsgroup/physical_validation#60 · Filter by author ptmerz opened on Apr 28, 2020 · Future
  

• Evaluate use of other packages reading molecular simulation result files

  question
  shirtsgroup/physical_validation#55 · Filter by author ptmerz opened on Apr 28, 2020 · Future
  5

• Add parser for AMBER

  new feature
  shirtsgroup/physical_validation#53 · Filter by author ptmerz opened on Apr 28, 2020 · Future
  1

• Add parser for HOOMD

  new feature
  shirtsgroup/physical_validation#52 · Filter by author ptmerz opened on Apr 28, 2020 · Future
  4

  

• Generating machine-readable results

  new feature
  shirtsgroup/physical_validation#34 · Filter by author mrshirts opened on Jul 19, 2018 · Future
  6