biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Merge branch 'release-4-5-patches' into release-4-6
[alexxy/gromacs.git]
/
src
/
tools
/
gmx_disre.c
2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
2013-01-15
Christoph Junghans
Merge "Added fatal error for constraints + L-BFGS minim...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-14
David van der Spoel
Merge "Fixing trjconv -sub" into release-4-5-patches
blob
|
commitdiff
|
raw
|
diff to current
2013-01-14
David van der Spoel
Merge "Noting that and why gmxdump -s -sys is broken...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-13
Mark Abraham
Updated code checks with distance restraints
blob
|
commitdiff
|
raw
|
diff to current
2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
blob
|
commitdiff
|
raw
|
diff to current
2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
blob
|
commitdiff
|
raw
|
diff to current
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
2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-05-27
David van der Spoel
Merge "added explicit sqrtf to the float version of...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-25
David van der Spoel
Merge "grompp now retains the order of bonds converted...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
blob
|
commitdiff
|
raw
|
diff to current
2012-05-24
Berk Hess
now mdrun always initializes MPI
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 release-4-5-patches into release-4-6
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
2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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
2012-01-19
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
2011-08-23
Roland Schulz
Merge "Typo fix" into release-4-5-patches
blob
|
commitdiff
|
raw
|
diff to current
2011-08-23
Mark Abraham
Typo fix
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
2011-01-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2011-01-24
Justin Lemkul
Various small changes to the man pages.
blob
|
commitdiff
|
raw
|
diff to current
2011-01-23
Mark Abraham
Improved consistency of text style usage
blob
|
commitdiff
|
raw
|
diff to current
2011-01-19
Justin Lemkul
Tons of tiny changes to documentation. Manual looks...
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
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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
2010-08-16
Berk Hess
gmx_rmpbc gets natoms passed again, without natoms...
blob
|
commitdiff
|
raw
|
diff to current
2010-07-24
Sander Pronk
New .edr file format: now supports blocks of arbitrary...
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
2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-02
David van der Spoel
Made removing pbc non-static. This affects many analysi...
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
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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
2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-19
Michael Shirts
Committing to merge
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
2009-12-02
Berk Hess
Merge commit 'origin/master' into 2dpme
blob
|
commitdiff
|
raw
|
diff to current
2009-12-01
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-11-30
Roland Schulz
close all files with ffclose which are opened with...
blob
|
commitdiff
|
raw
|
diff to current
2009-11-30
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-11-27
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-11-27
Sander Pronk
More C++ fixes: #include "gmx_ana.h" was missing in all
blob
|
commitdiff
|
raw
|
diff to current
2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-10-25
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-10-21
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-10-20
Roland Schulz
md5sum and locking for appending of files
blob
|
commitdiff
|
raw
|
diff to current
2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-10-12
Sander Pronk
Cleaned up parallel detection in pme & other places.
blob
|
commitdiff
|
raw
|
diff to current
2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-30
kasson
Tool merge
blob
|
commitdiff
|
raw
|
diff to current
2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
blob
|
commitdiff
|
raw
|
diff to current
2009-07-07
Sander Pronk
MPI send/recv more forgiving of NULL ptrs, misc. thread...
blob
|
commitdiff
|
raw
|
diff to current
2009-07-04
Sander Pronk
file names now const correct; builds in C++
blob
|
commitdiff
|
raw
|
diff to current
2009-06-30
Sander Pronk
added output_env_t type for querying time scales, and...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-17
Sander Pronk
Merge branch 'thread_mpi'
blob
|
commitdiff
|
raw
|
diff to current
2009-06-17
Sander Pronk
intial commit of thread_mpi (compiles, but does not...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-03
teemu
Fixed many warnings about const issues in C++.
blob
|
commitdiff
|
raw
|
diff to current
2009-06-03
lindahl
More fixes for warnings after enabling Gromacs compilat...
blob
|
commitdiff
|
raw
|
diff to current
2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
blob
|
commitdiff
|
raw
|
diff to current
2009-02-02
hess
changed most step count variables from int to gmx_step_t
blob
|
commitdiff
|
raw
|
diff to current
2008-09-19
lindahl
Implemented automatic renaming and optional appending...
blob
|
commitdiff
|
raw
|
diff to current
2008-08-15
hess
added missing init_mdatoms
blob
|
commitdiff
|
raw
|
diff to current
2008-08-12
hess
introced a new structure for the local topology in...
blob
|
commitdiff
|
raw
|
diff to current
2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
blob
|
commitdiff
|
raw
|
diff to current
2008-06-17
hess
implemented checkpointing for distance and orientation...
blob
|
commitdiff
|
raw
|
diff to current
2008-06-12
spoel
Added extra parameter
blob
|
commitdiff
|
raw
|
diff to current
2008-04-02
hess
added option to mdrun to print large forces
blob
|
commitdiff
|
raw
|
diff to current
2008-03-11
hess
implemented screw pbc
blob
|
commitdiff
|
raw
|
diff to current
next