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 | Replaced all occurences of str(n)casecmp with gmx_str... |
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2010-06-09 |
Gerrit Groenhof | Merge branch 'master' into qmmm |
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2010-05-07 |
Szilard Pall | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2010-05-02 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2010-04-29 |
Berk Hess | Merge commit 'origin/master' into 2dpme |
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2010-04-28 |
Teemu Murtola | Added a few functions for freeing memory. |
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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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2010-03-08 |
Berk Hess | made mdrun file appending default and added checks... |
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2010-03-02 |
Roland Schulz | Merge branch 'release-4-0-patches' |
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2010-02-03 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2010-02-01 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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2010-01-31 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2010-01-31 |
David van der Spoel | Added file type .cub for Gaussian cube files. |
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2009-12-20 |
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 |
Roland Schulz | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-11-27 |
Roland Schulz | C++ fixes part2; extern C fixes in header files a*... |
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2009-11-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-11-26 |
Roland Schulz | only allow any file extension for reading of trajectories |
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2009-11-26 |
Roland Schulz | Added VMD molfile plugin support to the analysis tools. |
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2009-09-09 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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2009-08-30 |
kasson | Tool merge |
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2009-08-27 |
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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2009-08-19 |
Sander Pronk | Added full thread_mpi library, it may even compile... |
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2009-08-19 |
Sander Pronk | checkpointing works with threads |
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2009-07-10 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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2009-07-05 |
Roland Schulz | added possiblility to deactivate fexist calls on non... |
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2009-07-04 |
Sander Pronk | file names now const correct; builds in C++ |
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2009-07-04 |
Sander Pronk | small thread-safety related fixes in gmxlib |
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2009-07-01 |
Sander Pronk | now compiles with configure |
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2009-07-01 |
Sander Pronk | misc. gmxlib fixes |
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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 | small changes to filenm (a lot still needs to be fixed) |
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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 | Fixed more compiler errors and warnings for C/C++ compa... |
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2009-06-03 |
teemu | Improved compilation (no errors, less warnings) of... |
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2009-03-07 |
lindahl | Bugfixes to make gromacs compile in MS visual studio... |
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2009-02-04 |
hess | energy file format change: energy averages are now... |
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2008-12-12 |
spoel | Added rudimentary support for xyz files |
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2008-11-14 |
hess | fixed incorrect file type count for tros |
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2008-11-14 |
hess | fixed incorrect file type count for tros |
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2008-09-19 |
lindahl | Implemented automatic renaming and optional appending... |
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2008-08-15 |
hess | removed xml and added efTRO for trajectory output |
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2008-04-30 |
hess | checkpoint files are now also trajectory files |
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2008-04-11 |
hess | implemented checkpoint files |
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2007-07-02 |
hess | merged the pull input into the inputrec, implemented... |
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2006-04-19 |
lindahl | fatal.h clashes with system headers on AIX. Renamed... |
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2005-06-02 |
spoel | Updated with an extra file type (.pqr) for input to... |
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2005-02-03 |
hess | implemented Espresso file format for reading stx and... |
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2005-02-02 |
lindahl | Changed the new Hessian matrix format to be XDR instead... |
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2004-09-06 |
spoel | Replaced the fatal_error routine by a more flexible... |
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2004-01-16 |
spoel | Fixed tpxio problems, added urey_bradley code. |
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2003-11-26 |
hess | added a space between the type and the description... |
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2003-11-17 |
spoel | Upped the version to 3.2.0 |
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2003-10-16 |
spoel | Added support for generating an xml help text (due... |
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2003-10-09 |
spoel | Updated g_hbond for better functionaluty in handling... |
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2003-07-01 |
hess | undid the previous commit, which made the opt2fn calls... |
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2003-06-27 |
spoel | Fixed bug in filenm (that wouldn't check whether a... |
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2003-05-10 |
spoel | Lots of small changes, anumber of small bug fixes. |
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2002-11-13 |
spoel | Fixed bug in pr_fns |
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2002-11-06 |
lindahl | Partial commit of the project to remove all static... |
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2002-04-10 |
spoel | Updated files to work with XML. However, everything... |
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2002-04-01 |
lindahl | Implemented win32 and cygwin support. |
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2002-03-28 |
anton | fixed reading multiple files for single file options |
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2002-03-11 |
anton | added multiple file options (i.e. file options that... |
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2002-02-28 |
spoel | Updated copyrgt wrapper |
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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 |
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2001-04-24 |
anton | added view_all to view all viewable output file options... |
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2000-09-14 |
hess | Committed the new innerloops for Erik Lindahl |
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2000-08-22 |
lindahl | Introduced Nose-Hoover and Parinello-Rahman extended... |
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2000-07-25 |
anton | changed ftp2* to return string iso NULL |
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2000-05-15 |
anton | removed unused vars |
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1999-11-03 |
hess | copyrgted |
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1999-10-25 |
anton | improved layout of files.tex table |
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1999-10-25 |
anton | new layout for files.tex (prfn) |
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1999-10-25 |
hess | changed the description of .xvg |
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1999-10-13 |
hess | fixed a stupid bug |
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1999-10-13 |
hess | fixed .gz and .Z recognition |
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1999-10-13 |
anton | eliminated explicit .Z and .gz extensions in pr_fopts |
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1999-10-07 |
hess | added a log file for the covariance analysis |
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1999-08-23 |
hess | capitalized some file descriptions |
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1999-08-23 |
tieleman | support for pull data files |
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1999-08-18 |
hess | added option for setting the default filename |
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1999-08-10 |
hess | fixed bug when no filename is given |
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1999-08-05 |
hess | removed automatic usage of non-first default filenames |
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1999-06-06 |
spoel | Removec otherwise harmless compiler warnings |
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1999-05-04 |
anton | removed unused vars |
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1999-05-03 |
anton | merged vdw.c/.h and mass.c/.h into atomprop.c/.h (also... |
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1999-04-20 |
anton | added writing of 'complete' cmd line; added array of... |
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1999-03-22 |
anton | if filename on commandline ends in .gz or .Z, this... |
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1999-03-22 |
hess | removed g96 from the trn format |
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1999-03-20 |
hess | added support for reading g96 coordinate trajectories |
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1999-03-19 |
spoel | Renamed debugging macro. |
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1999-03-18 |
hess | added reading and writing of gromos96 coordinate files |
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