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Paul Bauer

  • Registered on: 10/06/2017
  • Last connection: 08/22/2019

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Today

03:28 PM GROMACS Bug #3023 (Closed): Segmentation Fault when using pull-group1-pbcatom = -1 option
03:27 PM GROMACS Bug #3055 (Feedback wanted): Error in gmx xpm2ps
this is indeed an issue in 2019 up till 2019.3, but is already fixed (as far as I can see) in the development for 2019.4
03:21 PM GROMACS Bug #3063 (Resolved): Long-distance bonded interaction issue with CUDA and domain decomposition
10:32 AM GROMACS Bug #3060 (Closed): Internal parameter storage for IMDModules causes segfault for thread and real MPI

08/09/2019

06:58 PM GROMACS Revision 4625c43c: Add conversion from legacy to modern matrix type
Refs #2976
Change-Id: Iddf400bbb688a00c9de60e33d9c9a05f7c146f66

08/05/2019

10:40 PM GROMACS Revision e3c41cb8: Add replacements for pbc enumerations
Adds new enum classes to describe different types of unit cells and
centering operations. Those are intended to repla...
08:26 PM GROMACS Revision 0060f37a: Add free function to convert matrix type
New free function that allows generation of a Matrix3x3 type from the
legacy matrix type. Prepares for replacing the ...

08/01/2019

09:53 AM GROMACS Revision dac65bb1: Merge release-2019 into master
Resolved Conflicts:
cmake/gmxVersionInfo.cmake
docs/CMakeLists.txt
docs/release-notes/2019/2019.2.rst
src/externa...

07/31/2019

10:59 AM Regression tests suite Revision 4418c6d9: Update warning file for message about GROMOS FF
Change-Id: Ief0f84fb8387359f84f473fd578bb4d6b91a1e35

07/30/2019

07:35 AM GROMACS Revision ca9bfe8b: Add wrapper for outputadapter methods
Adds a wrapper for containing all the commandline options needed to
initialize the different outputadapter methods.
...

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