biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
kernel
/
runner.c
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
blob
|
commitdiff
|
raw
2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-09-15
Kasson
Merge "Fix some memory leaks." into release-4-5-patches
blob
|
commitdiff
|
raw
|
diff to current
2012-09-15
David van der Spoel
Merge "Adapted NMR related data to new pdb format....
blob
|
commitdiff
|
raw
|
diff to current
2012-09-14
Christoph Junghans
Merge "fixed recent bug with grompp check for P-R P...
blob
|
commitdiff
|
raw
|
diff to current
2012-09-13
Roland Schulz
Backport of md-vv rerun check from c7a82654f2eb8992
blob
|
commitdiff
|
raw
|
diff to current
2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-07-16
Christoph Junghans
Merge "Removed commas from gmx_hbond OpenMP constructs...
blob
|
commitdiff
|
raw
|
diff to current
2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
blob
|
commitdiff
|
raw
|
diff to current
2012-07-06
Carsten Kutzner
Enforced rotation: PBC/restart fix
blob
|
commitdiff
|
raw
|
diff to current
2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
blob
|
commitdiff
|
raw
|
diff to current
2012-06-25
Szilard Pall
introduce gmx_omp wrapper for the OpenMP API
blob
|
commitdiff
|
raw
|
diff to current
2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
blob
|
commitdiff
|
raw
|
diff to current
2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into releas...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-24
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-17
Teemu Murtola
Merge "Fixing more clang warnings" into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-05-17
Maarten Wolf
mv membed.h from include to src/kernel
blob
|
commitdiff
|
raw
|
diff to current
2012-05-09
Christoph Junghans
Merge "Backporting "moving membed to mdrun" from master...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-08
Maarten Wolf
Backporting "moving membed to mdrun" from master
blob
|
commitdiff
|
raw
|
diff to current
2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-26
Berk Hess
Merge "Merge release-4-5-patches into release-4-6"...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-26
Szilárd Páll
Merge "fixed initial COM motion removal with multiple...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-26
David van der Spoel
Merge "Various improvements to shell code" into release...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
blob
|
commitdiff
|
raw
|
diff to current
2012-04-24
Berk Hess
Merge "allow -append to overrule unsupported file locki...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-23
Christoph Junghans
Merge "compiler flag fixes" into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-04-22
Roland Schulz
Merge "enable command line option cheking in mdrun...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-18
Mark Abraham
Removed outdated #includes
blob
|
commitdiff
|
raw
|
diff to current
2012-04-18
Berk Hess
allow -append to overrule unsupported file locking
blob
|
commitdiff
|
raw
|
diff to current
2012-04-17
Mark Abraham
Added Windows-specific #defines, and use them
blob
|
commitdiff
|
raw
|
diff to current
2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
blob
|
commitdiff
|
raw
|
diff to current
2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-03-13
Roland Schulz
Merge "mdrun -npme without PME or with PD now generates...
blob
|
commitdiff
|
raw
|
diff to current
2012-03-13
Berk Hess
mdrun -npme without PME or with PD now generates a...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
blob
|
commitdiff
|
raw
|
diff to current
2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initial...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-03
David van der Spoel
Merge "Improved the accuracy of the sd1 integrator...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
blob
|
commitdiff
|
raw
|
diff to current
2012-02-02
Roland Schulz
Merges in threading branch as one squashed commit
blob
|
commitdiff
|
raw
|
diff to current
2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
blob
|
commitdiff
|
raw
|
diff to current
2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
blob
|
commitdiff
|
raw
|
diff to current
2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
blob
|
commitdiff
|
raw
|
diff to current
2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2011-12-19
Carsten Kutzner
Enforced rotation
blob
|
commitdiff
|
raw
|
diff to current
2011-05-23
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2011-05-17
Berk Hess
fixed minor memory leak with particle decomposition...
blob
|
commitdiff
|
raw
|
diff to current
2011-05-06
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2011-04-21
Erik Marklund
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2011-04-20
Sander Pronk
New thread_mpi library, with NUMA aware allocator for...
blob
|
commitdiff
|
raw
|
diff to current
2011-04-14
Mark Abraham
Moved various support functions for do_md into mdlib
blob
|
commitdiff
|
raw
|
diff to current
2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
blob
|
commitdiff
|
raw
|
diff to current
2010-11-08
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-11-07
Mark Abraham
Made mdrun exit with a fatal error for EM or NM with...
blob
|
commitdiff
|
raw
|
diff to current
2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-10-09
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-10-08
Berk Hess
made combination of tpi and pme work again in parallel
blob
|
commitdiff
|
raw
|
diff to current
2010-09-15
Berk Hess
added GMX_MAX_THREADS env.var. to set the maximum numbe...
blob
|
commitdiff
|
raw
|
diff to current
2010-09-07
Berk Hess
fixed crash with parallel nm with cut-off's
blob
|
commitdiff
|
raw
|
diff to current
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
blob
|
commitdiff
|
raw
|
diff to current
2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-10
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-09
Berk Hess
made mdrun -seppot work with threads and -seppot now...
blob
|
commitdiff
|
raw
|
diff to current
2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-30
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-30
Berk
made integrator nm work in parallel
blob
|
commitdiff
|
raw
|
diff to current
2010-07-30
Berk
commented out nthreads and threadid in t_commrec to...
blob
|
commitdiff
|
raw
|
diff to current
2010-07-21
Berk
corrected the order of the parallel inputrec and state...
blob
|
commitdiff
|
raw
|
diff to current
2010-07-10
Michael Shirts
Fixed minor formatting conflict.
blob
|
commitdiff
|
raw
|
diff to current
2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-03
Roland Schulz
runtime is only available on PP master (simmaster)...
blob
|
commitdiff
|
raw
|
diff to current
2010-07-02
Roland Schulz
intializing structs (to avoid valgrind error messages)
blob
|
commitdiff
|
raw
|
diff to current
2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-02
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-02
Rossen Apostolov
Disable AllvsAll kernels for very small systems (<...
blob
|
commitdiff
|
raw
|
diff to current
2010-06-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-16
kasson
Merge branch 'mymaster'
blob
|
commitdiff
|
raw
|
diff to current
2010-06-15
Berk Hess
allvsall loops now trigger particle decomposition
blob
|
commitdiff
|
raw
|
diff to current
2010-06-11
Sander Pronk
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-11
Berk Hess
optimized the number of threads
blob
|
commitdiff
|
raw
|
diff to current
2010-06-11
Sander Pronk
Fixed an allocation error during thread spawns.
blob
|
commitdiff
|
raw
|
diff to current
2010-06-11
Sander Pronk
Merge branch 'threadspawn'
blob
|
commitdiff
|
raw
|
diff to current
2010-06-11
Sander Pronk
Cleaned up code that determines thread number.
blob
|
commitdiff
|
raw
|
diff to current
2010-06-11
Sander Pronk
Number of threads is now also determined by system...
blob
|
commitdiff
|
raw
|
diff to current
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-06-07
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
next