| 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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| 2012-06-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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| 2012-06-01 |
Christoph Junghans | Merge "Use External BLAS/LAPACK by default" into releas... |
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| 2012-05-24 |
Teemu Murtola | Merge "Code cleanup to avoid name collisions" into... |
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| 2012-05-18 |
Roland Schulz | Rename BOOL to EBOOL |
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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 |
David van der Spoel | Merge "added support for graphs not starting at 0"... |
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| 2012-04-26 |
Berk Hess | added support for graphs not starting at 0 |
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| 2011-01-30 |
David van der Spoel | Merge branch 'release-4-5-patches' into orderparm |
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| 2010-08-25 |
Rossen Apostolov | Redefine the default boolean type to gmx_bool. |
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| 2010-07-10 |
Michael Shirts | Fixed minor formatting conflict. |
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| 2010-07-02 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2010-07-01 |
Sander Pronk | More thread safety fixes in gmxlib. |
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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 | split off warninp.c with input reading warning routines... |
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| 2010-03-01 |
Berk Hess | split off chargegroup.c from pbc.c and tpi.c from minim... |
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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 | 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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| 2009-12-05 |
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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| 2009-11-23 |
Roland Schulz | fixed md5 locking, removed misleading error message |
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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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| 2009-09-18 |
Michael Shirts | A number of changes to try to rationalize constraints... |
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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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| 2009-06-04 |
Erik Lindahl | Removed Id tags from master branch since they will... |
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| 2009-06-03 |
teemu | Improved compilation (no errors, less warnings) of... |
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| 2009-05-18 |
hess | added inputrec2nboundeddim |
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| 2009-01-06 |
hess | fixed unitialized variables, which could have caused... |
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| 2009-01-06 |
hess | fixed unitialized variables, which could have caused... |
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| 2008-06-18 |
hess | fixed bug in all pbc_dx routines for triclinic boxes... |
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| 2008-04-02 |
hess | fixed warnings about more than 12 triclinic correction... |
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| 2008-03-11 |
hess | implemented screw pbc |
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| 2008-03-07 |
hess | the pull code now uses proper pbc_dx_d calls |
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| 2008-03-07 |
hess | reorganized the pbc code, there is now an extra pbc_dx... |
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| 2008-02-29 |
hess | postion restraints now use umlimited shift pbc iso... |
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| 2008-02-28 |
hess | fixed missing interactions for extreme triclinic boxes |
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| 2008-02-28 |
spoel | Added gmx_incons for doing PBC without PBC in put_charg... |
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| 2007-11-27 |
hess | removed global variable stdlog |
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| 2007-04-21 |
hess | implemented two new scaling options for the posres... |
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| 2007-04-17 |
lindahl | Fixed missing braces around for-loop in pbc_dx that... |
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| 2007-04-13 |
lindahl | Added missing include for BOOL() declaration. |
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| 2007-04-10 |
spoel | Implemented compiler bug workaround. |
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| 2007-03-19 |
hess | fixed bug with DD and pbc=xy |
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| 2007-02-26 |
hess | fixed bug introduced in previous commit |
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| 2007-02-13 |
hess | added pbc=xy and walls, added a separate mdp option... |
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| 2007-01-17 |
hess | fixed the ntric_vec >= 12 problem |
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| 2006-10-30 |
hess | fixed the box correcting routine for DD and moved it... |
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| 2006-10-19 |
hess | implemented triclinic domain decomposition |
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| 2006-10-17 |
hess | moved the pbc with DD to the dd_move routines, the... |
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| 2006-07-19 |
spoel | Merges from 3.3 |
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| 2006-05-17 |
spoel | Removed C++ style comments |
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| 2006-04-19 |
lindahl | fatal.h clashes with system headers on AIX. Renamed... |
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| 2005-12-22 |
hess | first commit of my domain decomposition code |
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| 2005-06-16 |
hess | removed box_size (which was not used anyhow) |
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| 2005-05-20 |
hess | reintroduced the non-while version of triclinic pbc_dx... |
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| 2005-04-13 |
hess | somehow the previous commit was incomplete, here is... |
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| 2005-04-12 |
hess | added while loops in pbc_dx to correct for multiple... |
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| 2005-04-12 |
hess | added option for the definition of the center in calc_b... |
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| 2005-03-22 |
hess | improved pbc_dx for distances above max_cutoff in some... |
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| 2005-03-07 |
spoel | Added optional debug to pbc_dx (effective with the... |
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| 2004-10-20 |
spoel | Changed C++ style // comment to normal C. |
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| 2004-09-06 |
spoel | Replaced the fatal_error routine by a more flexible... |
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| 2004-08-23 |
hess | Removed the static data in pbc_dx by adding a t_pbc... |
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| 2004-02-25 |
spoel | Fixed shift |
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| 2004-01-23 |
lindahl | Added conditional inclusion of config.h to source files. |
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| 2004-01-09 |
spoel | Added two new functions for bonded energy terms, a... |
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| 2003-12-12 |
hess | fixed put_atoms_in_triclinic_unitcell which did not... |
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| 2003-11-17 |
spoel | Upped the version to 3.2.0 |
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| 2002-11-06 |
lindahl | Partial commit of the project to remove all static... |
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| 2002-06-17 |
hess | fixed errors in the shift return by pbc_dx for triclini... |
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| 2002-05-18 |
hess | pbc_dx now also returns the shift index |
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| 2002-02-28 |
spoel | Updated copyrgt wrapper |
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| 2002-02-01 |
spoel | Cleanup routines in pbc.c and calls to them, plus a... |
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| 2001-05-14 |
lindahl | Tagged files with gromacs 3.0 header |
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| 2001-02-27 |
hess | changed bTruncOct to bNotUsed |
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| 2000-12-11 |
hess | forgot to update a box check in the previous commit |
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| 2000-12-11 |
hess | added check for offdiag box elem > 0.5*diag, for testin... |
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| 2000-09-28 |
hess | added box dump to warning in init_pbc |
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| 2000-08-02 |
hess | added consts in pbc_dx call |
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| 2000-06-10 |
hess | implemented correction for invalid box due to pressure... |
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| 2000-04-19 |
lindahl | Changed the shift code to use list of ivec with separat... |
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| 2000-02-17 |
hess | fixed a bug with long distances in triclinic boxes |
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| 2000-01-31 |
hess | rewrote the trx routines |
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| 2000-01-06 |
hess | added routines for calculating the compact unitcell... |
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| 1999-12-02 |
hess | made three different box representations for trjconv |
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| 1999-12-01 |
hess | optimized the triclinic pbc_dx |
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