| 2010-08-25 |
Rossen Apostolov | Redefine the default boolean type to gmx_bool. |
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| 2010-08-23 |
Rossen Apostolov | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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| 2010-08-22 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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| 2010-08-22 |
Erik Lindahl | Cleaned up all installed headers to remove strict depen... |
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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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| 2010-08-19 |
Michael Shirts | Additional fixes to the nsttcouple and nstpcouple worki... |
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| 2010-08-03 |
Berk Hess | made vrescale and Berendsen tcouple work with VV, altho... |
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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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| 2010-03-12 |
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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| 2010-01-05 |
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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| 2009-11-30 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-11-27 |
Roland Schulz | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-11-27 |
Sander Pronk | C++ fixes: fixed 'extern "C"' in header files m-z. |
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| 2009-11-15 |
Michael Shirts | Changed the organization of trotter updates to make... |
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| 2009-11-14 |
Michael Shirts | changed setup of trotter decomposition to make it easie... |
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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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| 2009-08-31 |
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 | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-08-27 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2009-08-27 |
Per Larsson | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-08-27 |
Per Larsson | Added support for pbc with GB |
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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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| 2009-02-03 |
hess | fixed incorrect define introduced in previous commit |
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| 2009-02-02 |
kasson | PK changed check_cm_grp to skip warning statements... |
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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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| 2008-04-01 |
hess | removed user function from rswitch warning check |
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| 2008-03-28 |
hess | added user potentials to the NOCUT macros, now user... |
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| 2008-03-14 |
hess | made the two step SD integrator the default sd again |
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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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| 2008-01-17 |
hess | implemented automated DD grid and PME node selection |
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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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| 2007-06-18 |
hess | changed parallel TPI from multi to normal parallelizati... |
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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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| 2006-07-20 |
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 | Fixed compiler warnings in QM-MM code. |
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| 2005-09-02 |
lindahl | Last part of the QM-MM patch. |
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| 2005-06-21 |
hess | added macro EI_DYNAMICS |
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| 2005-06-02 |
hess | added macro EI_ENERGY_MINIMIZATION |
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| 2005-03-01 |
hess | implemented test particle insertion, activated the... |
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| 2005-02-09 |
spoel | Updated |
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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 | Removed MNO solvent, added TIP4p optimization. |
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| 2004-08-28 |
lindahl | Added Encad shift functions. |
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| 2004-08-10 |
hess | added reaction-field correction for excluded atom pairs... |
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| 2004-01-22 |
lindahl | Added Michael Shirts long-range dispersion and repulsio... |
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| 2003-11-27 |
lindahl | Added support for L-BFGS minimization. |
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| 2003-11-17 |
spoel | Upped the version to 3.2.0 |
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| 2002-12-04 |
spoel | Made use of graph optional (with epbcXYZ only) and... |
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| 2002-11-06 |
lindahl | Partial commit of the project to remove all static... |
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| 2002-02-28 |
spoel | Updated copyrgt |
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| 2002-02-26 |
lindahl | Fixed minor bugs in PPC G3 detection. |
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| 2002-02-18 |
hess | added a fit group for orientation restraining to fix... |
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| 2002-02-15 |
spoel | Added a whole bunch of changes to do with support for... |
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| 2002-01-25 |
hess | added orientation restraints, extended the energy file... |
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| 2002-01-09 |
spoel | Did quite a lot of cleaning in mdrun. nmrun is now... |
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| 2001-08-10 |
lindahl | Fixed a couple of spelling errors and formatting in... |
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| 2001-07-06 |
lindahl | Created final manual pages, html, and completions for... |
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| 2001-05-14 |
lindahl | Tagged files with gromacs 3.0 header and added some... |
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| 2001-03-02 |
lindahl | Transfer of the entire build system to autoconf/automake. |
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