| 2010-08-25 |
Rossen Apostolov | Redefine the default boolean type to gmx_bool. |
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| 2010-07-26 |
Erik Lindahl | Added lots of missing cmakedefines to config.h.cmakein |
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| 2010-07-26 |
Sander Pronk | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2010-07-26 |
Sander Pronk | Added support for Windows _fseeki64. |
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| 2010-06-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-06-24 |
Szilard Pall | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-06-23 |
Gerrit Groenhof | Merge branch 'master' into qmmm |
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| 2010-06-22 |
Sander Pronk | Most (if not all) file operations are now thread safe. |
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| 2010-06-20 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-06-18 |
Gerrit Groenhof | Merge branch 'master' into qmmm |
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| 2010-06-17 |
Maarten Wolf | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-06-17 |
Szilard Pall | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-06-16 |
kasson | Merge branch 'mymaster' |
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| 2010-06-14 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2010-06-14 |
David van der Spoel | Added more fixes in comment texts, generously provided... |
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| 2010-06-12 |
David van der Spoel | Fixed a lot of spelling errors in comments and document... |
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| 2010-06-09 |
Gerrit Groenhof | Merge branch 'master' into qmmm |
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| 2010-03-02 |
Roland Schulz | Merge branch 'release-4-0-patches' |
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| 2009-12-05 |
Michael Shirts | 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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| 2009-10-16 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-10-05 |
Roland Schulz | sqrt was wrong. because both for F_G96BONDS and F_BONDS... |
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| 2009-10-05 |
Roland Schulz | sqrt was wrong. because both for F_G96BONDS and F_BONDS... |
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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 |
Berk Hess | added -rmsd option to gmxcheck |
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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 |
Erik Lindahl | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2009-09-09 |
Erik Lindahl | New all-vs-all loops and working SSE gb kernels+radii... |
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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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| 2009-07-06 |
Sander Pronk | more const-correctness fixes |
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| 2009-07-04 |
Sander Pronk | file names now const correct; builds in C++ |
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| 2009-07-01 |
Sander Pronk | enxio is thread safe (and quite possibly works) |
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| 2009-06-30 |
Sander Pronk | added output_env_t type for querying time scales, and... |
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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 |
lindahl | More fixes for warnings after enabling Gromacs compilat... |
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| 2009-03-06 |
hess | added t_resinfo struct to t_atoms which contains the... |
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| 2009-02-04 |
hess | energy file format change: energy averages are now... |
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| 2009-02-02 |
hess | changed most step count variables from int to gmx_step_t |
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| 2008-10-08 |
spoel | Merged in fix from release branch |
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| 2008-10-08 |
spoel | Commented out byte count printing because it makes... |
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| 2008-09-19 |
lindahl | Implemented automatic renaming and optional appending... |
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| 2008-08-12 |
hess | introced a new structure for the local topology in... |
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| 2008-08-05 |
hess | t_topology is now partially replaced by gmx_mtop_t... |
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| 2008-06-27 |
hess | made atomprop only read a particular database when... |
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| 2008-03-07 |
hess | reorganized the pbc code, there is now an extra pbc_dx... |
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| 2008-02-02 |
hess | removed a array from t_block for cgs and mols, renamed... |
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| 2007-09-19 |
spoel | Fixed bug in determination of bond lengths for g96 |
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| 2007-07-22 |
spoel | Added rudimentary methods section generator based on... |
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| 2007-04-14 |
spoel | Added check for zero box due to bugzilla 117 |
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| 2006-12-08 |
hess | implemented tabulated bonded potentials |
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| 2006-08-30 |
spoel | Fixed compilation warnings and errors. |
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| 2006-05-19 |
spoel | Fixed description |
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| 2006-04-19 |
lindahl | fatal.h clashes with system headers on AIX. Renamed... |
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| 2006-04-05 |
hess | implemented parallel LINCS |
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| 2005-11-24 |
spoel | Merged in changes from 3.3 |
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| 2005-10-26 |
hess | added -ab option to compare A and B state topology |
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| 2005-06-11 |
spoel | Added feature to summarize the contents of an index... |
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| 2004-12-14 |
hess | renamed all dummy/dummies to vsite/vsites in all filena... |
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| 2004-08-26 |
hess | changed the default tolerance from 0.01 to 0.001 |
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| 2004-08-23 |
hess | Removed the static data in pbc_dx by adding a t_pbc... |
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| 2004-05-14 |
spoel | Updated helptext |
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| 2004-05-14 |
spoel | Added possibility to check whether bond lengths are... |
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| 2004-01-23 |
lindahl | Added conditional inclusion of config.h to source files. |
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| 2003-11-17 |
spoel | Upped the version to 3.2.0 |
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| 2003-06-04 |
hess | checking trajectories now reports correct intervals... |
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| 2003-05-10 |
spoel | Lots of small changes, anumber of small bug fixes. |
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| 2002-11-06 |
lindahl | Partial commit of the project to remove all static... |
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| 2002-07-04 |
spoel | Added comment and user output |
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| 2002-04-01 |
lindahl | Implemented win32 and cygwin support. |
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| 2002-02-28 |
spoel | Updated copyrght header |
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| 2002-02-01 |
spoel | Cleanup routines in pbc.c and calls to them, plus a... |
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| 2002-01-25 |
hess | added orientation restraints, extended the energy file... |
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| 2002-01-24 |
lindahl | Made large file support more foolproof. |
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| 2001-08-16 |
spoel | Added feature for limited comparing of energies |
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| 2001-08-03 |
hess | removed counter print for every enx frame |
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| 2001-07-26 |
hess | fixed incorrect timestep print for incomplete energy... |
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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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| 2001-03-08 |
anton | merged -e and -e1 cmdline options; added -f2 to compare... |
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| 2001-01-17 |
anton | -tol now effects all real comparisons (i.e. for energy... |
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| 2000-07-25 |
hess | changed some language details in the description |
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| 2000-07-24 |
anton | updated desc |
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| 2000-07-24 |
hess | added prec to t_trxframe, fixed precision of trjconv... |
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| 2000-05-04 |
anton | removed stupid bug in getting atom radii and added... |
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| 2000-03-28 |
hess | now default niced |
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| 2000-02-08 |
hess | added skip for byte printing |
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| 2000-01-31 |
hess | rewrote the trx routines |
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| 1999-11-03 |
hess | copyrgted |
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| 1999-10-19 |
anton | checked manual spelling; checked manual consistency |
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| 1999-10-19 |
spoel | Fixed warning for type mismatch in gmxcheck and made... |
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| 1999-08-24 |
lindahl | Added braces and initializers to avoid compiler warnings |
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| 1999-06-23 |
hess | put the natoms printing before the checking |
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| 1999-05-10 |
hess | fixed usage of -e1 when -s1 is set |
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| 1999-05-07 |
anton | changed 'sorry not supported' message with filename... |
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| 1999-05-04 |
anton | added .resnr |
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