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David van der Spoel

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08/15/2017

06:15 PM Regression tests suite Revision d72ce3b7: Added test for orientation restraints.
Change-Id: I8226dd237c0c080ceec47e4005f3474201627ce6
04:55 PM GROMACS Revision 71a17da6: Worked around missing OpenMP implementation in orires.
The orientation restraint code is not aware of OpenMP threads
and uses some global information. By only running it on...

08/03/2017

04:06 PM GROMACS Revision 7e1bfb45: Fixed bug in gmx disres indexing arrays.
The call to routines in listed-forces/disre.cpp returns values
in a different manner than previously. This meant that...

08/02/2017

09:36 PM Regression tests suite Revision aa84906d: Added test for orientation restraints.
Change-Id: I8226dd237c0c080ceec47e4005f3474201627ce6
09:36 PM GROMACS Bug #2223 (Resolved): Orientation restraints broken with OpenMP
Applied in changeset commit:0be497b7a9ea605dad3780c479c3018f3c93bc41.
07:14 PM GROMACS Revision 0be497b7: Worked around missing OpenMP implementation in orires.
The orientation restraint code is not aware of OpenMP threads
and uses some global information. By only running it on...

07/28/2017

05:30 PM GROMACS Revision 6b2de303: Added unit-test for orientation restraints output.
In order to allow splitting of the gmx energy functionality
into an NMR and an energy part additional tests are neede...
11:49 AM Regression tests suite Revision dbbb7ad3: Added bone-headed distance restraint test.
Change-Id: Ib34c7125ea40768a1d144f9e54e1232a55bc939c

07/26/2017

09:28 PM GROMACS Revision 920f58af: Merge branch 'alexandria' of ssh://gerrit.gromacs.org:29418/gromacs into alexa...
09:27 PM GROMACS Revision e6e6b8a2: Fixed nice level
Change-Id: I95c105e0faeccb528a0b49db95562e2027a48dfa

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