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renamed GMX_THREADS to GMX_THREAD_MPI
[alexxy/gromacs.git]
/
src
/
kernel
/
md_openmm.c
2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
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2011-05-06
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-14
Mark Abraham
Deleted duplicated code
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2011-04-14
Mark Abraham
Fixed code duplication
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-10-08
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-05
Berk Hess
added fail-safe check for OpenMM with double precision
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2010-09-25
Rossen Apostolov
Reverted changes to md_openmm.c, get rid of 'nan' in...
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2010-09-25
Rossen Apostolov
mdrun-gpu now doesn't output individual energy term...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-25
Erik Lindahl
Added missing header include
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2010-08-25
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-24
Erik Lindahl
Re-added openmm paper
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2010-08-21
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-20
Sander Pronk
Added support for new mdp options controlling free...
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2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Rossen Apostolov
Fixed the execution order in OpenMM so that the generat...
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2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-18
Berk Hess
removed the bNEMD boolean from the main MD loop and...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Berk
commented out nthreads and threadid in t_commrec to...
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2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-11
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-10
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-10
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-10
Szilard Pall
fixed logging output in do_md_openmm
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-05-16
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-12
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-12
Szilard Pall
Fix in openmm_wrapper which makes it work with MSVC.
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2010-05-12
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-12
Sander Pronk
Now does something useful with the USR1 signal.
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2010-05-12
Szilard Pall
fixed signal handling in md_openmm
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2010-05-10
Sander Pronk
openmm fix for last commit
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2010-05-10
Sander Pronk
Cleaned up signal handling code.
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Szilard Pall
added gromacs file headers to the OpenMM-related files
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2010-05-07
Szilard Pall
minor fixes, documentation and slight API change in...
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2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-04-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-13
Szilard Pall
cleaned up a bunch op mess in do_md_openmm
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2010-04-13
Szilard Pall
bugfix for do_md_openmm - was always pulling data from...
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2010-04-13
Szilard Pall
fixed timing bug in do_md_openmm
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2010-04-04
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-24
Rossen Apostolov
Signal handling is now enabled for the openmm platform.
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2010-03-18
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-17
Rossen Apostolov
openmm: some cleanup in md_openmm.c and mdrun.c
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2010-03-15
Sander Pronk
Now auto-detects the number of hardware threads and...
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2010-03-12
Peter Kasson
Fixed C99 -> C syntax for md_openmm.c
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-12
Rossen Apostolov
Enabled checkpoints in OpenMM.
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2010-03-11
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-11
Rossen Apostolov
Various fixes.
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2010-03-11
Rossen Apostolov
Enalbed -maxh option for usage with OpenMM binaries
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2010-03-11
Rossen Apostolov
Cleaned up do_md_openmm.
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2010-03-11
Szilard Pall
Minor cleanup, some rearrangaments, and commenting.
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2010-03-11
Szilard Pall
Renamed md_openmm into openmm_wrapper, and do_md_openmm...
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