biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Essential dynamics: fixed restarts when ED group has > 1 molecule
[alexxy/gromacs.git]
/
src
/
gmxlib
/
checkpoint.c
2012-12-20
Carsten Kutzner
Essential dynamics: fixed restarts when ED group has...
blob
|
commitdiff
|
raw
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
2012-11-26
Roland Schulz
Merge "Clean up some mathematical constants" into relea...
blob
|
commitdiff
|
raw
|
diff to current
2012-11-26
Erik Lindahl
Merge "Extended build information output and reference...
blob
|
commitdiff
|
raw
|
diff to current
2012-11-25
Teemu Murtola
Extended build information output and reference build...
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
2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
blob
|
commitdiff
|
raw
|
diff to current
2012-07-05
Christoph Junghans
Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2012-07-04
Roland Schulz
Merge "Add FindGROMACS.cmake to template's CMakeLists...
blob
|
commitdiff
|
raw
|
diff to current
2012-07-04
Roland Schulz
Merge "Fixed bug in free energy calculation for Morse...
blob
|
commitdiff
|
raw
|
diff to current
2012-06-29
Michael Shirts
Corrected checkpoint version issues with free energy...
blob
|
commitdiff
|
raw
|
diff to current
2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
blob
|
commitdiff
|
raw
|
diff to current
2012-06-22
Christoph Junghans
Merge "Simple patch for openmm_wrapper.cpp" into releas...
blob
|
commitdiff
|
raw
|
diff to current
2012-06-16
Erik Lindahl
New CPU detection & AVX/SSE code, removed raw assembly...
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
2012-05-07
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
2012-04-23
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
Berk Hess
allow -append to overrule unsupported file locking
blob
|
commitdiff
|
raw
|
diff to current
2012-04-17
Berk Hess
changed mdrun file locking not supported error to a...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-17
Mark Abraham
Added Windows-specific #defines, and use them
blob
|
commitdiff
|
raw
|
diff to current
2012-04-16
Roland Schulz
Merge "changed default for nstxout, nstvout and nstlog...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-16
Roland Schulz
Merge "checkpoint files now contain a double precision...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-16
Berk Hess
checkpoint files now contain a double precision flag
blob
|
commitdiff
|
raw
|
diff to current
2012-04-09
Christoph Junghans
Merge "Documentation and error message enhancements...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-09
Mark Abraham
Documentation and error message enhancements
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
2012-03-18
David van der Spoel
Merge "Fix typo in Clang CFlags" into release-4-5-patches
blob
|
commitdiff
|
raw
|
diff to current
2012-03-18
David van der Spoel
Merge "Merge 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
2012-03-15
Christoph Junghans
Merge "Clarified wording of documentation" into release...
blob
|
commitdiff
|
raw
|
diff to current
2012-03-14
Mark Abraham
Changed cryptic error messages about disk quota
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
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
2011-12-11
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2011-12-08
Roland Schulz
Merge "Added an option to easily compile contrib progra...
blob
|
commitdiff
|
raw
|
diff to current
2011-11-27
Roland Schulz
Merge "Fixes inconsistent spelling of Git cmake variabl...
blob
|
commitdiff
|
raw
|
diff to current
2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
blob
|
commitdiff
|
raw
|
diff to current
2011-11-27
Roland Schulz
Merge "Replace '_' in all mdp options to '-'" into...
blob
|
commitdiff
|
raw
|
diff to current
2011-11-27
Roland Schulz
Merge "Cleaning up some bad coding practices" into...
blob
|
commitdiff
|
raw
|
diff to current
2011-11-25
Roland Schulz
Cleaning up some bad coding practices
blob
|
commitdiff
|
raw
|
diff to current
2011-08-11
Roland Schulz
Merge "removed npmenodes mismatch warning in read_check...
blob
|
commitdiff
|
raw
|
diff to current
2011-08-10
Berk Hess
removed npmenodes mismatch warning in read_checkpoint...
blob
|
commitdiff
|
raw
|
diff to current
2011-07-01
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2011-06-23
Berk Hess
tpbconv can now read cpt files, fixes #741
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
2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
blob
|
commitdiff
|
raw
|
diff to current
2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2011-03-03
Sander Pronk
Replaced strdups with gmx_strdups so that they can...
blob
|
commitdiff
|
raw
|
diff to current
2011-02-20
Sander Pronk
Minor fix for when write_dhdl_file=false and delta_lamb...
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
2010-11-05
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-11-04
Roland Schulz
print more information in case of lock error
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
fixed typo in checkpoint warning
blob
|
commitdiff
|
raw
|
diff to current
2010-10-08
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-10-08
Sander Pronk
Now really fixed locking of log file.
blob
|
commitdiff
|
raw
|
diff to current
2010-10-08
Roland Schulz
fixed locking of log file - broken by d750b9ce
blob
|
commitdiff
|
raw
|
diff to current
2010-09-27
Roland Schulz
include "error.h" was not neccessary and caused problem...
blob
|
commitdiff
|
raw
|
diff to current
2010-09-26
Roland Schulz
1) gmx_fio_seek was not returning correct return value...
blob
|
commitdiff
|
raw
|
diff to current
2010-09-17
Sander Pronk
Checkpoints backward-compatible + more consistency...
blob
|
commitdiff
|
raw
|
diff to current
2010-09-13
Berk Hess
state switches between the cpt and tpr file in mdrun...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-26
Berk Hess
fixed bug that caused corrupted checkpoint files
blob
|
commitdiff
|
raw
|
diff to current
2010-08-26
Sander Pronk
Free energy writing to ener.edr and four new options...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-26
Rossen Apostolov
Removed the unnecessary hacks from some boolean statements.
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
Replaced all occurences of str(n)casecmp with gmx_str...
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
2010-08-21
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-20
Berk Hess
added function do_cpte_n_reals to checkpoint.c
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
Sander Pronk
Moved the OS-dependent part of gmx_fio_fsync() to futil.c
blob
|
commitdiff
|
raw
|
diff to current
2010-08-12
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-12
Erik Lindahl
Fixed checkpoint problem in 32 bits. We should always...
blob
|
commitdiff
|
raw
|
diff to current
next