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]
/
include
/
mdrun.h
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
2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' 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
2012-06-04
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
2012-06-01
Christoph Junghans
Merge "Replace our fftpack version with Numpy's version...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-29
Sander Pronk
Removed dependency on windows.h through commrec.h,...
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
2012-04-24
Berk Hess
Merge "allow -append to overrule unsupported file locki...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-18
Berk Hess
allow -append to overrule unsupported file locking
blob
|
commitdiff
|
raw
|
diff to current
2012-04-03
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
2012-02-29
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
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
2011-04-21
Sander Pronk
Added prototypes for functions in md_support.c to mdrun.h
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
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
blob
|
commitdiff
|
raw
|
diff to current
2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-22
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-22
Erik Lindahl
Cleaned up all installed headers to remove strict depen...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-18
Berk Hess
removed the bNEMD boolean from the main MD loop and...
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
2010-07-05
Sander Pronk
Fixed header files to be able to link 3d party code...
blob
|
commitdiff
|
raw
|
diff to current
2010-06-30
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-28
Berk Hess
added mdrun -cptnum option to keep and number checkpoints
blob
|
commitdiff
|
raw
|
diff to current
2010-06-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-06-22
Sander Pronk
Most (if not all) file operations are now thread safe.
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
2010-06-11
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
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
2010-04-27
Berk Hess
resolved merge conflicts
blob
|
commitdiff
|
raw
|
diff to current
2010-04-04
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-03-21
Sander Pronk
Auto-cancels threads for non-parallel integrators.
blob
|
commitdiff
|
raw
|
diff to current
2010-03-15
Sander Pronk
Now auto-detects the number of hardware threads and...
blob
|
commitdiff
|
raw
|
diff to current
2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-03-11
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-03-11
Rossen Apostolov
Initial porting, do_md_openmm_nopatch.h is used.
blob
|
commitdiff
|
raw
|
diff to current
2010-03-07
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
blob
|
commitdiff
|
raw
|
diff to current
2010-03-01
Berk Hess
split off chargegroup.c from pbc.c and tpi.c from minim...
blob
|
commitdiff
|
raw
|
diff to current
2010-02-19
Berk
replaced the 5 boolean parameters for write_traj by...
blob
|
commitdiff
|
raw
|
diff to current
2010-02-18
Berk
removed some double initialization code in mdrun
blob
|
commitdiff
|
raw
|
diff to current
2010-02-17
Berk Hess
synchronized checkpointing and termination with mdrun...
blob
|
commitdiff
|
raw
|
diff to current
2010-02-15
Berk Hess
collected all the mdrun parallel signals into one data...
blob
|
commitdiff
|
raw
|
diff to current
2010-02-01
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-31
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-29
Berk Hess
changed mdrun option -resethmaxh to -resethway and...
blob
|
commitdiff
|
raw
|
diff to current
2010-01-28
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-28
Berk Hess
added hidden option -resethmaxh to mdrun
blob
|
commitdiff
|
raw
|
diff to current
2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-17
Michael Shirts
Revisions to harmonize velocity verlet with Berk's...
blob
|
commitdiff
|
raw
|
diff to current
2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-05
Berk Hess
split md.c into md.c and runner.c
blob
|
commitdiff
|
raw
|
diff to current
2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
blob
|
commitdiff
|
raw
|
diff to current
2010-01-04
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-21
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-20
Michael Shirts
Fixed some problems with calculation of dispersion...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-20
Michael Shirts
Fixed an issue with checkpointing not getting the first...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-19
Michael Shirts
Committing to merge
blob
|
commitdiff
|
raw
|
diff to current
2009-12-19
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-19
Michael Shirts
Making the code thread safe (removing the static ints...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-05
Michael Shirts
made some output fixes.
blob
|
commitdiff
|
raw
|
diff to current
2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
next