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- 09:02 AM GROMACS Revision a30cf2a9: Improve handling of CUDA API errors
- Consolidate the construction of the printed error message in one
place and make sure that the CUDA API information on...
- 06:56 PM GROMACS Revision 84e7aa59: Make corresponding device active before each TestDevice is created
- When populating the list of GPU devices for tests, the DeviceContext and
DeviceStream objects are created for each Te...
- 03:24 PM GROMACS Revision 0787bf7e: Separate VV first and second steps from MD loop
- This combines code blocks that are only active for VV
integrators, and moves them into a separate source file.
- 02:52 PM GROMACS Revision 04c4bbc7: Remove coolquote that sounds offensive without context
- 07:42 PM GROMACS Revision a33ff993: Use lambdas to get the list of PBC names from the map of PBCs in constraints tests
- Extracting the names directly from the map allows to avoid repeating
and matching the names when the list is created ...
- 11:50 AM GROMACS Revision a9ff0c7f: Remove source file that is no longer in use
- All CUDA data transfer calls now use the same wrappers, the
NBNXM-specific wrapers can be removed.
- 08:26 AM GROMACS Revision 00749f0e: Fix doxygen comments formattig in update.h
- 08:43 AM GROMACS Revision 8d94b9ce: Make the message why GPU bondeds are not available more clear
- Closes #3728
- 06:55 AM GROMACS Revision 2c816435: Remove unused velocity scaling enum value
- The velocities are never scaled by a full matrix, hence
the extra value in the enumeration is not needed. Having
- 07:34 AM GROMACS Revision 01297f01: Clear constraints RMSD values upon domains reset
- When atoms migrate from one domain to another, some domains can be
left without constraints assigned to them. In this...
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