Branches

• 4460-document-ensemble-input

  130025a9 · [wip] Document gmxapi ensemble input conventions. · Nov 10, 2022
• 4422-rank-allocation

  52df11d1 · wip · Nov 10, 2022
• 3288-module-dependencies

  1e42e718 · clang-format · Sep 16, 2022
• main

  374684f7 · Rename computation to activities in wallcycle · Sep 15, 2022
• mei-api-docs

  6a835dd0 · [wip] flesh out API requirements in docs. · Jun 01, 2022
• 4422-mpi-binding

  6cde3cf4 · [wip] Provide library communicator through Python bindings. · Apr 26, 2022
• 3295-simple-numpy-access

  f8fa3b86 · wip · Mar 15, 2022
• mei-new-internalerror-exception

  def335a0 · Add gmxapi::InternalError. · Mar 06, 2022
• 3295-modify-input-coordinates

  da939d10 · wip: numpy access to positions and velocities · Feb 23, 2022
• 2993-type-help

  971ab970 · Provide helpers for mapping gmxapi to native types. · Feb 23, 2022
• 4406-use-libgromacs-interface_compile_features

  970b656f · Minimize toolchain specification in sample project. · Feb 23, 2022
• 4078-backport-to-2020

  d9ee9f14 · wip · Jul 21, 2021
• docs

  c8964c5e · Improve gmxapi.commandline_operation documentation. · Jun 29, 2021
• 4079-gmxapi-docs

  a58d2409 · wip · Jun 29, 2021
• release-2021

  8b69e10f · Use GmxManageMPI variables for gmxapi. · Feb 11, 2021
• master default protected

  84b05f96 · Fix clang-tidy-11 for trajectoryanalysis · Feb 08, 2021
• use-gitlab-docker-repo

  6be85ba9 · Add missing path addition · Nov 05, 2020
• 2993-scalar-and-structured-type-expression-and-definitions-for-api

  9fc119fd · Data exchange protocols. · Aug 08, 2020
• devicebuffer_UnifyCUDAOpenCLLookupTable

  290851cb · Remove testing asserts · Apr 16, 2020
• checkpoint_fixNumStepsAndVersionCheck

  e4810d9f · Add release notes · Apr 16, 2020