Branches

• mdi-qminput-xmlparser

  988fcd77 · Changed location of templates to /share/cp2k_templates · Jan 26, 2022
• 2021.2-qmmm-full-excl

  66eeede8 · addMimicExclusions() now generates exclusions between QM atoms and all atoms... · Aug 05, 2021
• 2021.2-qmmm

  23d96d7a · Added CP2K related options to CMake files · May 21, 2021
• 2021.1-qmmm-cp2k-deactivated

  9dd72894 · Added CP2K related options to CMake files · May 04, 2021
• 2021.1-plumed-qmmm

  2a586670 · INSTALL-dev updated with installation instructions · Mar 09, 2021
• 2021.1-qmmm

  a5c02e23 · INSTALL-dev updated with installation instructions · Mar 09, 2021
• CP2KActive

  4f7a75ba · Fixed detection of external MPI for initialization of libcp2k · Feb 23, 2021
• 3834-MdModules-Disable-PME

  7de6b9e3 · Added functionality that allows MdModules to disable PME-only ranks during simulation setup · Jan 16, 2021
• CP2K71-Gromacs

  1375aeae · Fixes to enable CP2K 7.1 · Jan 08, 2021
• CP2KInterface

  e0cd10d6 · Removed term Quantum En. from Energy output tests, functionality has been... · Dec 03, 2020
• master default

  bc85c606 · Fixes for checkpointdata.h templates to work correctly with Visual Studio 2019 · Sep 09, 2020
  gromacs/gromacs!505
• ptmerz-require-explicit-mpi_comm-for-gmx_bcast-and-gmx_barrier

  14c91be4 · Fixed includes · Apr 07, 2020
• addClangTidyScript

  c0b4ea49 · Address more review comments · Apr 07, 2020
• fixes-3463

  6ef70302 · Make source linters compare against HEAD in scripts · Apr 06, 2020
• use-more-enumerationarray

  32d50ccd · Merge branch 'origin/master' into use-more-enumerationarray · Apr 06, 2020
• cmake_fix_exported_target

  67ff3b47 · Merge branch 'origin/master' into HEAD · Apr 06, 2020
• ci-2756

  3186cae1 · fix typo · Apr 06, 2020
• cuda-aware-mpi

  7e857905 · Incorporate review feedback · Apr 06, 2020
• ptmerz-divide-default-communicator-from-dd-communicators

  428b8a3f · Fixed formatting · Apr 05, 2020
• ptmerz-make-boxdeformation-independent-of-t_commrec

  faa2879c · Make boxdeformation independent of t_commrec · Apr 05, 2020