biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Fixed bug in parallel v/f constraining
[alexxy/gromacs.git]
/
src
/
mdlib
/
constr.c
2014-03-23
Berk Hess
Fixed bug in parallel v/f constraining
blob
|
commitdiff
|
raw
2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
blob
|
commitdiff
|
raw
|
diff to current
2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2013-01-18
Roland Schulz
Code beautification with uncrustify
blob
|
commitdiff
|
raw
|
diff to current
2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
blob
|
commitdiff
|
raw
|
diff to current
2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
blob
|
commitdiff
|
raw
|
diff to current
2013-01-15
Sander Pronk
Merge "Continuation of documentation for expanded ensem...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-14
Carsten Kutzner
Essential dynamics output file now in .xvg format
blob
|
commitdiff
|
raw
|
diff to current
2013-01-11
Christoph Junghans
Merge "Fix CUDA being quiet and mark all CUDA_* as...
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
2013-01-09
Erik Lindahl
Merge "Corrected gmxcheck output for Gromos96 bonds...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-09
Roland Schulz
Merge "[tools] g_sans - add trajectory avereging" into...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-07
Roland Schulz
Merge "cmake: remove double-negative quotes logic"...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-07
Roland Schulz
Merge "Ignore bool cast warning for MSVC and C++" into...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-07
David van der Spoel
Merge "Removed reference to nonexistent file in g_helix...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-07
Roland Schulz
Merge "improved reporting of failed affinity setting...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-07
Roland Schulz
Merge "Fixed format error in online manual." into relea...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-07
Roland Schulz
Merge "Fixed a bug that with multiple exchanges" into...
blob
|
commitdiff
|
raw
|
diff to current
2013-01-07
Roland Schulz
Merge "Essential dynamics: fixed restarts when ED group...
blob
|
commitdiff
|
raw
|
diff to current
2012-12-20
Carsten Kutzner
Essential dynamics: fixed restarts when ED group has...
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
2012-10-19
Roland Schulz
Merge "[tools] Allow g_dist to use default index group...
blob
|
commitdiff
|
raw
|
diff to current
2012-10-19
Kasson
Merge "renamed constraint variables rmdr to vir_r_m_dr...
blob
|
commitdiff
|
raw
|
diff to current
2012-10-18
Berk Hess
renamed constraint variables rmdr to vir_r_m_dr
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
2012-09-30
Roland Schulz
Fix problems found by cppcheck 1.56
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
2012-05-07
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
David van der Spoel
Merge "changed number of iatoms for F_SETTLE from 1...
blob
|
commitdiff
|
raw
|
diff to current
2012-04-27
Berk Hess
changed number of iatoms for F_SETTLE from 1 to 3
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
2012-03-17
Berk Hess
fixed increasing memory usage with SHAKE and DD
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
2011-05-12
Berk Hess
removed memory allocation/free during constraining
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
2011-02-11
Mark Abraham
Made the "multiple settles" fatal error more helpful
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
2010-07-23
Berk Hess
fixed (rare) incorrect residue numbers when using gmx_m...
blob
|
commitdiff
|
raw
|
diff to current
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-06-04
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-03
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-02
David van der Spoel
Changed error message for settle problems, such that...
blob
|
commitdiff
|
raw
|
diff to current
2010-04-27
Berk Hess
resolved merge conflicts
blob
|
commitdiff
|
raw
|
diff to current
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
blob
|
commitdiff
|
raw
|
diff to current
2010-02-05
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-02-03
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-02-03
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-02-03
Carsten Kutzner
Removed useless code in dd_make_local_group_indices
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
2009-12-19
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
2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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
2009-12-04
Michael Shirts
Rewrite of the half-step ekin for velocity verlet,...
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
2009-11-20
Michael Shirts
Almost working now! not vv for average kinetic energy...
blob
|
commitdiff
|
raw
|
diff to current
2009-11-19
Michael Shirts
Partway through with rationalization of different integ...
blob
|
commitdiff
|
raw
|
diff to current
2009-11-04
Michael Shirts
Made functions accessed only in their own file static.
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
2009-10-25
Michael Shirts
Another quick bug fix.
blob
|
commitdiff
|
raw
|
diff to current
2009-10-25
Michael Shirts
Bug fix in alpha calculation
blob
|
commitdiff
|
raw
|
diff to current
2009-10-25
Michael Shirts
added changes to take alpha out of the ir->opts. now...
blob
|
commitdiff
|
raw
|
diff to current
2009-10-25
Michael Shirts
Made changes suggested by Berk.
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
Berk Hess
fixed constraint error dump files not being written...
blob
|
commitdiff
|
raw
|
diff to current
2009-10-20
Berk Hess
fixed constraint error dump files not being written...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-26
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-26
Michael Shirts
Now we are getting energy conservation with NPT, and...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-23
Michael Shirts
before I make any other mistakes . . .
blob
|
commitdiff
|
raw
|
diff to current
2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-23
Michael Shirts
Code now almost conserves energy. I should investigate...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-19
Michael Shirts
About to make more drastic changes to try to fix conser...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-18
Michael Shirts
A number of changes to try to rationalize constraints...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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
2009-09-09
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-07
Michael Shirts
A number of changes to gromacs_mrs. Almost working...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-07
Roland Schulz
renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
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
next