2012-11-29 |
Mark Abraham | Update copyright statements and change license to LGPL |
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2012-11-26 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-11-20 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-11-08 |
Christoph Junghans | Merge "auto-set nvcc host compiler with FindMPI detecti... |
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2012-11-08 |
Erik Lindahl | Infrastructure for new group kernels, and new C kernels |
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2012-11-03 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-10-17 |
Kasson | Merge "Make Gromacs compile without C++ compiler" into... |
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2012-10-08 |
Berk Hess | made non-bonded potential shifts mdp options |
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2012-10-02 |
Szilard Pall | added Verlet scheme and NxN non-bonded functionality |
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2012-10-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-09-03 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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2012-07-13 |
Roland Schulz | Merge release-4.5-patches into HEAD |
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2012-06-04 |
Michael Shirts | Merging in free energy, exp. ensemble, & andersen t... |
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2012-06-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-05-07 |
Teemu Murtola | Merge branch 'gerrit/release-4-5-patches' into release-4-6 |
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2012-04-29 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-04-29 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-04-26 |
Berk Hess | Merge release-4-5-patches into release-4-6 |
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2012-04-25 |
Berk Hess | replaced PPPM by P3M-AD: a few lines in pme.c |
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2012-04-03 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-03-28 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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2012-03-16 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-02-29 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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2012-02-23 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-02-08 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-02-03 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2012-01-19 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2012-01-13 |
Roland Schulz | Merge "Fixed MSVC compiling with plug-in support" into... |
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2012-01-10 |
Christoph Junghans | Adds AdResS feature to gromacs |
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2011-12-26 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2011-12-20 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2011-12-19 |
Carsten Kutzner | Enforced rotation |
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2011-12-11 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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2011-12-08 |
Roland Schulz | Merge "Added an option to easily compile contrib progra... |
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2011-11-27 |
Roland Schulz | Merge "Fixes inconsistent spelling of Git cmake variabl... |
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2011-11-27 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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2011-11-27 |
Roland Schulz | Merge "Replace '_' in all mdp options to '-'" into... |
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2011-10-20 |
Alexey Shvetsov | Replace '_' in all mdp options to '-' |
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2011-01-30 |
David van der Spoel | Merge branch 'release-4-5-patches' into orderparm |
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2010-10-08 |
David van der Spoel | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-10-05 |
Berk Hess | renamed mdp setting Ace-approx to Ace-approximation |
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2010-09-20 |
Per Larsson | Changes to GB non-polar solvation calculations |
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2010-08-21 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-08-20 |
Sander Pronk | Added support for new mdp options controlling free... |
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2010-07-29 |
Erik Lindahl | Merge branch 'master' of git.gromacs.org:gromacs |
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2010-07-29 |
Berk | added 12-6 wall potential |
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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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2010-03-02 |
Roland Schulz | Merge branch 'release-4-0-patches' |
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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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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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2009-12-21 |
David van der Spoel | 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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2009-12-19 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-17 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-17 |
Michael Shirts | Changed eiVV2 to eiVVAK, and "md-vv2" to "md-vv-avek... |
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2009-12-05 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-12-04 |
Michael Shirts | Rewrite of the half-step ekin for velocity verlet,... |
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2009-10-25 |
Michael Shirts | Made changes suggested by Berk. |
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2009-09-26 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-09-23 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-09-17 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-09-16 |
Sander Pronk | Merge branch 'master' of git.gromacs.org:gromacs |
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2009-09-15 |
Berk Hess | added pull geometry distance_periodic and reorganized... |
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2009-09-09 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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2009-09-07 |
Michael Shirts | A number of changes to gromacs_mrs. Almost working... |
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2009-06-04 |
Erik Lindahl | Removed Id tags from master branch since they will... |
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2009-02-23 |
pronk | Made cpp preprocessor work on .mdp files. |
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2009-01-30 |
lindahl | Initial commit of generalized born electrostatics.... |
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2008-12-03 |
hess | Introduced generic charge-group - charge-group inner... |
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2008-07-24 |
hess | implemented velocity rescaling thermostat and fixed... |
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2008-05-29 |
lindahl | Added new generalized born parameters to tpr format. |
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2008-04-11 |
hess | implemented checkpoint files |
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2008-03-17 |
hess | implemented free-energy coupling options in grompp... |
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2008-03-11 |
hess | implemented screw pbc |
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2008-02-02 |
hess | removed a array from t_block for cgs and mols, renamed... |
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2008-01-11 |
hess | made two separate sd integrator options |
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2007-07-03 |
hess | added constant force pulling and many small checks... |
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2007-05-08 |
hess | added coulombtype Reaction-Field-zero |
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2007-04-21 |
hess | implemented two new scaling options for the posres... |
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2007-03-30 |
hess | complete rewrite of the pull code, now works in paralle... |
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2007-02-13 |
hess | added pbc=xy and walls, added a separate mdp option... |
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2007-01-29 |
hess | added integrator tpic and fixed bugs for tpi with more... |
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2006-08-17 |
hess | implemented PME-Switch electrostatics |
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2006-04-19 |
lindahl | fatal.h clashes with system headers on AIX. Renamed... |
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2006-03-24 |
hess | implemented proper local topologies for domain decompos... |
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2005-09-02 |
lindahl | Last part of the QM-MM patch. |
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2005-03-01 |
hess | implemented test particle insertion, activated the... |
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2005-02-08 |
spoel | Added support for a combination of PME and User determi... |
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2005-01-13 |
hess | for combination_rules 2 and 3 nonbonded_params and... |
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2004-12-26 |
lindahl | Added tip4p water optimization, removed MNO solvent... |
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2004-12-14 |
hess | renamed all dummy/dummies to vsite/vsites in all filena... |
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2004-09-24 |
spoel | Added more info for debugging and testing. |
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2004-08-28 |
lindahl | Added Encad shift functions to the table code. |
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2004-08-10 |
hess | added reaction-field correction for excluded atom pairs... |
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2004-01-23 |
lindahl | Added conditional inclusion of config.h to source files. |
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