Fixed bug in parallel v/f constraining
[alexxy/gromacs.git] / src / mdlib / constr.c
2014-03-23 Berk HessFixed bug in parallel v/f constraining
2013-04-19 Teemu MurtolaMerge branch 'release-4-5-patches'
2013-03-26 Roland SchulzMerge release-4-5-patches into release-4-6
2013-02-20 Mark AbrahamMerge release-4-5-patches into release-4-6
2013-01-22 Mark AbrahamMerge "added missing cleanup of some nbnxn_cuda data...
2013-01-18 Roland SchulzMerge release-4-5-patches into release-4-6
2013-01-18 Roland SchulzCode beautification with uncrustify
2013-01-18 Mark AbrahamFixing copyright issues and code contributors
2013-01-17 Mark AbrahamMerge branch 'release-4-5-patches' into release-4-6
2013-01-15 Sander PronkMerge "Continuation of documentation for expanded ensem...
2013-01-14 Carsten KutznerEssential dynamics output file now in .xvg format
2013-01-11 Christoph JunghansMerge "Fix CUDA being quiet and mark all CUDA_* as...
2013-01-11 Roland SchulzMerge release-4-5-patches into release-4-6
2013-01-09 Erik LindahlMerge "Corrected gmxcheck output for Gromos96 bonds...
2013-01-09 Roland SchulzMerge "[tools] g_sans - add trajectory avereging" into...
2013-01-07 Roland SchulzMerge "cmake: remove double-negative quotes logic"...
2013-01-07 Roland SchulzMerge "Ignore bool cast warning for MSVC and C++" into...
2013-01-07 David van der SpoelMerge "Removed reference to nonexistent file in g_helix...
2013-01-07 Roland SchulzMerge "improved reporting of failed affinity setting...
2013-01-07 Roland SchulzMerge "Fixed format error in online manual." into relea...
2013-01-07 Roland SchulzMerge "Fixed a bug that with multiple exchanges" into...
2013-01-07 Roland SchulzMerge "Essential dynamics: fixed restarts when ED group...
2012-12-20 Carsten KutznerEssential dynamics: fixed restarts when ED group has...
2012-11-29 Mark AbrahamUpdate copyright statements and change license to LGPL
2012-11-26 Roland SchulzMerge release-4-5-patches into release-4-6
2012-11-20 Roland SchulzMerge release-4-5-patches into release-4-6
2012-11-03 Roland SchulzMerge release-4-5-patches into release-4-6
2012-10-19 Roland SchulzMerge "[tools] Allow g_dist to use default index group...
2012-10-19 KassonMerge "renamed constraint variables rmdr to vir_r_m_dr...
2012-10-18 Berk Hessrenamed constraint variables rmdr to vir_r_m_dr
2012-10-02 Szilard Palladded Verlet scheme and NxN non-bonded functionality
2012-10-01 Roland SchulzMerge release-4-5-patches into release-4-6
2012-09-30 Roland SchulzFix problems found by cppcheck 1.56
2012-09-03 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-07-13 Roland SchulzMerge release-4.5-patches into HEAD
2012-06-04 Michael ShirtsMerging in free energy, exp. ensemble, & andersen t...
2012-06-01 Roland SchulzMerge release-4-5-patches into release-4-6
2012-05-07 Teemu MurtolaMerge branch 'gerrit/release-4-5-patches' into release-4-6
2012-04-29 Roland SchulzMerge release-4-5-patches into release-4-6
2012-04-29 David van der SpoelMerge "changed number of iatoms for F_SETTLE from 1...
2012-04-27 Berk Hesschanged number of iatoms for F_SETTLE from 1 to 3
2012-03-28 Szilard PallMerge branch 'release-4-5-patches' into release-4-6
2012-03-18 David van der SpoelMerge "Fix typo in Clang CFlags" into release-4-5-patches
2012-03-17 Berk Hessfixed increasing memory usage with SHAKE and DD
2011-05-23 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs...
2011-05-12 Berk Hessremoved memory allocation/free during constraining
2011-05-05 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org...
2011-04-04 David van der SpoelMerge branch 'release-4-5-patches' into orderparm
2011-02-11 Mark AbrahamMade the "multiple settles" fatal error more helpful
2011-01-30 David van der SpoelMerge branch 'release-4-5-patches' into orderparm
2010-08-25 Rossen ApostolovRedefine the default boolean type to gmx_bool.
2010-07-23 Berk Hessfixed (rare) incorrect residue numbers when using gmx_m...
2010-06-09 Gerrit GroenhofMerge branch 'master' into qmmm
2010-06-04 Erik MarklundMerge branch 'master' of git.gromacs.org:gromacs
2010-06-03 Szilard PallMerge branch 'master' of git@git.gromacs.org:gromacs
2010-06-02 David van der SpoelChanged error message for settle problems, such that...
2010-04-27 Berk Hessresolved merge conflicts
2010-03-02 Roland SchulzMerge branch 'release-4-0-patches'
2010-02-05 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs
2010-02-03 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2010-02-03 Sander PronkMerge branch 'master' of git.gromacs.org:gromacs
2010-02-03 Carsten KutznerRemoved useless code in dd_make_local_group_indices
2010-01-05 Roland SchulzUndo Michael's accidental commits with:
2010-01-04 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-27 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-27 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-23 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-21 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-20 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-19 Michael ShirtsCommitting to merge
2009-12-19 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-17 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-05 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-12-04 Michael ShirtsRewrite of the half-step ekin for velocity verlet,...
2009-11-27 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-11-20 Michael ShirtsAlmost working now! not vv for average kinetic energy...
2009-11-19 Michael ShirtsPartway through with rationalization of different integ...
2009-11-04 Michael ShirtsMade functions accessed only in their own file static.
2009-10-25 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-10-25 Michael ShirtsAnother quick bug fix.
2009-10-25 Michael ShirtsBug fix in alpha calculation
2009-10-25 Michael Shirtsadded changes to take alpha out of the ir->opts. now...
2009-10-25 Michael ShirtsMade changes suggested by Berk.
2009-10-21 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs
2009-10-20 Berk Hessfixed constraint error dump files not being written...
2009-10-20 Berk Hessfixed constraint error dump files not being written...
2009-09-26 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-09-26 Michael ShirtsNow we are getting energy conservation with NPT, and...
2009-09-23 Michael Shirtsbefore I make any other mistakes . . .
2009-09-23 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs
2009-09-23 Michael ShirtsCode now almost conserves energy. I should investigate...
2009-09-19 Michael ShirtsAbout to make more drastic changes to try to fix conser...
2009-09-18 Michael ShirtsA number of changes to try to rationalize constraints...
2009-09-14 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs
2009-09-14 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs
2009-09-09 Michael ShirtsMerge branch 'master' of git://git.gromacs.org/gromacs
2009-09-09 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs
2009-09-07 Michael ShirtsA number of changes to gromacs_mrs. Almost working...
2009-09-07 Roland Schulzrenamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
2009-08-21 Sander PronkMerge branch 'thread_mpi'. Threads should work for...
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