2010-08-25 |
Rossen Apostolov | Redefine the default boolean type to gmx_bool. |
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2010-08-17 |
Michael Shirts | Merge branch 'release-4-5-patches' of git@git.gromacs... |
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2010-08-10 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-08-09 |
Berk | added exclusion check for cg-cg innerloops |
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2010-08-08 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-08-06 |
Roland Schulz | Merge branch 'release-4-5-patches' of ssh://git.gromacs... |
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2010-08-06 |
Roland Schulz | cleanup: GMX_CG_INNERLOOP isn't used anymore |
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2010-06-09 |
Gerrit Groenhof | Merge branch 'master' into qmmm |
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2010-04-27 |
Berk Hess | resolved merge conflicts |
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2010-03-12 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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2010-03-07 |
Roland Schulz | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2010-03-02 |
Roland Schulz | Merge branch 'release-4-0-patches' |
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2010-03-01 |
Berk Hess | added charge group size check to grompp |
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2010-01-26 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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2010-01-26 |
Berk Hess | added missing nblist initializations |
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2010-01-05 |
Roland Schulz | Undo Michael's accidental commits with: |
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2010-01-04 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2010-01-01 |
Michael Shirts | Fix for nonbondeds. |
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2010-01-01 |
Michael Shirts | More fixes for the multicomponent lambda. |
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2009-12-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-23 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-20 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-19 |
Michael Shirts | Committing to merge |
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2009-12-05 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-11-30 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-11-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-11-19 |
Berk Hess | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-11-18 |
Berk | fixed charge group size check in ns.c |
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2009-11-15 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-11-11 |
Peter Kasson | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-11-11 |
Berk Hess | added exclusion support for cg-cg loops |
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2009-11-11 |
Berk | made CG neighbor lists switchable with an env.var. |
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2009-10-16 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-09-30 |
Berk Hess | moved the initialization of the grid ns lists |
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2009-09-30 |
Berk Hess | fixed bug with twin-range ns when not starting a simula... |
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2009-09-23 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-09-14 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-09-14 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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2009-09-12 |
Roland Schulz | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-09-09 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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2009-09-09 |
Sander Pronk | Made former atoi (atoi is not thread-safe) strtols... |
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2009-08-31 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-08-30 |
kasson | Tool merge |
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2009-08-30 |
Erik Lindahl | Initial all-vs-all kernels. Single precision SSE working. |
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2009-08-27 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-08-21 |
Sander Pronk | Merge branch 'thread_mpi'. Threads should work for... |
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2009-08-04 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-08-03 |
Berk Hess | changed the twin-range integrator to a symplectic Trott... |
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2009-07-14 |
Berk Hess | added mdp parameters nstcalcenergy and rlistlong and... |
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2009-07-01 |
Sander Pronk | changed cmake/configure GMX_THREADS/GMX_THREAD_SHM_FDEC... |
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2009-06-27 |
Sander Pronk | atoi/atof are not thread-safe: replaced all instances... |
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2009-06-24 |
Sander Pronk | Merge branch 'thread_mpi' of git@git.gromacs.org:gromac... |
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2009-06-24 |
Sander Pronk | Many thread-safety fixes in mdlib; better error reporti... |
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2009-06-11 |
Berk Hess | removed superfluous memory allocation, helps a lot... |
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2009-06-11 |
Berk Hess | removed superfluous memory allocation, helps a lot... |
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2009-06-04 |
Erik Lindahl | Removed Id tags from master branch since they will... |
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2009-06-03 |
hess | updated for C++ compilation |
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2009-05-26 |
hess | made simuations without cut-off work with DD |
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2009-05-19 |
hess | some minor fixes for unbound systems with DD |
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2009-05-18 |
hess | implemented vacuum simulations with DD |
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2009-04-29 |
hess | fixed bug with DD introduced in previous commit |
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2009-04-28 |
hess | implemented grid neighbor searching without pbc, does... |
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2009-04-21 |
lindahl | Parallel domain decomposition support for Generalized... |
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2009-04-08 |
hess | replaced the word zone by cell for domain decomposition... |
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2009-04-02 |
kasson | PK committing patches from Per Larsson for nb kernels. |
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2009-03-27 |
hess | implemented foreign lambda free energy difference code |
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2009-01-30 |
lindahl | Initial commit of generalized born electrostatics.... |
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2009-01-29 |
hess | fixed missing tip4p-tip4p charge interactions with... |
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2009-01-29 |
hess | fixed missing tip4p-tip4p charge interactions with... |
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2008-12-03 |
hess | Introduced generic charge-group - charge-group inner... |
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2008-08-31 |
hess | removed useless MAX_CG in add_j_to_nblist |
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2008-08-30 |
spoel | Fixed a SEGV due to overflow in neighborlist during... |
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2008-08-30 |
hess | fixed MAX_CG check for simple search |
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2008-08-27 |
hess | QMMM fixed of Gerrit |
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2008-08-12 |
hess | introced a new structure for the local topology in... |
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2008-08-11 |
hess | split the t_group struct into a gmx_ekindata_t struct... |
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2008-08-07 |
hess | really, really fixed the simple search, why doesn't... |
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2008-08-07 |
hess | really fixed the simple search |
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2008-08-07 |
hess | fixed bug in simple search introduced in previous rev |
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2008-08-05 |
hess | t_topology is now partially replaced by gmx_mtop_t... |
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2008-06-13 |
hess | complete reformatting, removed unused code, renamed... |
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2008-06-12 |
hess | removed unused qmmm switch from do_longrange |
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2008-02-29 |
hess | fixed bug introduced in previous commit |
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2008-02-28 |
hess | fixed missing interactions for extreme triclinic boxes |
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2008-02-02 |
hess | removed a array from t_block for cgs and mols, renamed... |
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2008-01-17 |
hess | implemented automated DD grid and PME node selection |
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2008-01-08 |
hess | implemented domain decomposition for steep and cg |
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2007-10-15 |
hess | implemented multi-pulse DD communication and fixed... |
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2007-10-12 |
hess | fixed tpi bug (not tpic) introduced with the domain... |
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2007-09-26 |
hess | fixed bug in outerloop nrnb counting |
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2007-09-13 |
hess | implemented automated nl update also for parrinello... |
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2007-09-11 |
hess | implemented automated neighbor list updating frequency... |
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2007-07-31 |
hess | fixed incorrect list size check for simple search |
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2007-07-13 |
hess | mdrun now only writes a log file on the master node... |
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2007-06-13 |
lindahl | Reverted out the multilambda supported committed yesterday. |
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2007-06-12 |
lindahl | Initial multilambda support added, i.e. we can now... |
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2007-05-24 |
hess | fixed the algorithm for determining the number of grid... |
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2007-05-21 |
hess | fixed slow memory reallocation, especially at the start... |
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2007-05-18 |
hess | added cginfo pointer, which can save a factor of 1... |
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