| 2012-04-16 |
Sander Pronk | Merge "Permit threads build on Cygwin" into release... |
tree | commitdiff |
| 2012-04-10 |
Mark Abraham | Permit threads build on Cygwin |
tree | commitdiff |
| 2012-03-27 |
Berk Hess | added correction for PME virial with non-linear virtual... |
tree | commitdiff |
| 2012-02-22 |
Sander Pronk | Fixed ABI warning for thread_mpi on gcc 4.6 for x86. |
tree | commitdiff |
| 2012-02-11 |
Szilárd Páll | Merge changes If0c2f9d9,Ic2a8ad82 into release-4-5... |
tree | commitdiff |
| 2012-02-10 |
Mark Abraham | Integer multiplication that checks for overflow |
tree | commitdiff |
| 2012-02-02 |
Teemu Murtola | Merge "Revert "Fix ICC on Windows Build"" into release... |
tree | commitdiff |
| 2012-02-01 |
Christoph Junghans | Merge "Fix signed/unsigned warnings" into release-4... |
tree | commitdiff |
| 2012-01-31 |
David van der Spoel | Merge "Fix ICC on Windows Build" into release-4-5-patches |
tree | commitdiff |
| 2012-01-25 |
Roland Schulz | Merge "New approach for GerritBuild script" into releas... |
tree | commitdiff |
| 2012-01-20 |
David van der Spoel | Merge "Fixed timing measurements." into release-4-5... |
tree | commitdiff |
| 2012-01-16 |
Sander Pronk | Thread affinity and x86 assembly fixes for thread_mpi |
tree | commitdiff |
| 2012-01-15 |
Christoph Junghans | Merge "Added CMake Toolchain file for BlueGene/P" into... |
tree | commitdiff |
| 2012-01-10 |
Mark Abraham | Fixed use of isfinite and _isfinite |
tree | commitdiff |
| 2011-12-14 |
Roland Schulz | Merge "Re-fixed static linking of maths libraries under... |
tree | commitdiff |
| 2011-12-13 |
Roland Schulz | Merge "Relaxed some assumptions about trajectory times... |
tree | commitdiff |
| 2011-12-13 |
Mark Abraham | Relaxed some assumptions about trajectory times |
tree | commitdiff |
| 2011-11-08 |
Christoph Junghans | Merge "Fixed bug #830 (segv in do_dssp)" into release... |
tree | commitdiff |
| 2011-11-08 |
Kasson | Merge "Fix for GB, double, SSE2 and optimized kernels... |
tree | commitdiff |
| 2011-10-27 |
Mark Abraham | Made reading of binary matrices more robust |
tree | commitdiff |
| 2011-09-19 |
Rossen Apostolov | Merge "Resolved gerrit issue https://gerrit.gromacs... |
tree | commitdiff |
| 2011-09-19 |
David van der Spoel | Resolved gerrit issue https://gerrit.gromacs.org/#chang... |
tree | commitdiff |
| 2011-09-16 |
Erik Lindahl | Merge "made allocation for LINCS with particle decompos... |
tree | commitdiff |
| 2011-09-13 |
Berk Hess | Merge "Remove segv in xpm2ps, fixes #611" into release... |
tree | commitdiff |
| 2011-09-06 |
Mark Abraham | Fix bug with large ints without MPI_IN_PLACE |
tree | commitdiff |
| 2011-09-05 |
Michael Shirts | Merge "fixed incorrect pV term in the energy file"... |
tree | commitdiff |
| 2011-08-29 |
Berk Hess | fixed incorrect pV term in the energy file |
tree | commitdiff |
| 2011-08-12 |
Berk Hess | implemented full exclusion support for the charge-group... |
tree | commitdiff |
| 2011-07-11 |
Carsten Kutzner | Added two missing headers |
tree | commitdiff |
| 2011-07-06 |
Carsten Kutzner | Added globsig.h to include/types/Makefile.am |
tree | commitdiff |
| 2011-07-01 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
| 2011-06-10 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
| 2011-06-08 |
Sander Pronk | Added support for SunCC on Solaris/SPARC. |
tree | commitdiff |
| 2011-05-31 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
| 2011-05-23 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
| 2011-05-06 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
| 2011-05-05 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
| 2011-04-21 |
Erik Marklund | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
| 2011-04-21 |
Sander Pronk | Added prototypes for functions in md_support.c to mdrun.h |
tree | commitdiff |
| 2011-04-21 |
David van der Spoel | First version of a Density of States analysis tool. |
tree | commitdiff |
| 2011-04-20 |
Sander Pronk | Revert "NUMA aware memory allocators get called (for... |
tree | commitdiff |
| 2011-04-20 |
Sander Pronk | NUMA aware memory allocators get called (for Windows). |
tree | commitdiff |
| 2011-04-20 |
Sander Pronk | New thread_mpi library, with NUMA aware allocator for... |
tree | commitdiff |
| 2011-04-14 |
Mark Abraham | Moved various support functions for do_md into mdlib |
tree | commitdiff |
| 2011-04-14 |
Mark Abraham | Moved iterated-constraints code into mdlib |
tree | commitdiff |
| 2011-04-14 |
Mark Abraham | Moved heuristic neighbor-list code into mdlib |
tree | commitdiff |
| 2011-04-14 |
Mark Abraham | Fixed code duplication |
tree | commitdiff |
| 2011-04-14 |
Mark Abraham | Fixed header #ifndef test |
tree | commitdiff |
| 2011-04-11 |
Justin A. Lemkul | Made g_protonate (partially) work. |
tree | commitdiff |
| 2011-04-06 |
David van der Spoel | Fixed header for gmx_conect_init |
tree | commitdiff |
| 2011-04-04 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
| 2011-04-04 |
David van der Spoel | Made new programs compile with gcc -pedantic. |
tree | commitdiff |
| 2011-04-04 |
David van der Spoel | Merge branch 'release-4-5-patches' into orderparm |
tree | commitdiff |
| 2011-03-30 |
Mark Abraham | Suppressed Cygwin C-only compiler warnings |
tree | commitdiff |
| 2011-03-16 |
Sander Pronk | mdrun -multi, multidir and replica exchange now exchang... |
tree | commitdiff |
| 2011-03-10 |
Sander Pronk | Added more support for multidir. |
tree | commitdiff |
| 2011-02-11 |
Mark Abraham | Removed ancient CVS tag lines |
tree | commitdiff |
| 2011-02-04 |
Roland Schulz | using set_mm_ps to make pgi happy |
tree | commitdiff |
| 2011-01-30 |
David van der Spoel | Merge branch 'release-4-5-patches' into orderparm |
tree | commitdiff |
| 2011-01-29 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
| 2011-01-28 |
Mark Abraham | Turned g_options into a normal GROMACS tool |
tree | commitdiff |
| 2011-01-26 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
| 2011-01-25 |
Mark Abraham | Relocated some t_matrix documentation |
tree | commitdiff |
| 2010-11-19 |
Sander Pronk | Fixed TMPI_WAIT_FOR_NO_ONE deadlock. |
tree | commitdiff |
| 2010-11-02 |
Berk Hess | proper defined of MAX_CHARGEGROUP_SIZE=32 in a single... |
tree | commitdiff |
| 2010-11-02 |
hess | fixed incorrect y result in mvmul_ur0, only used in... |
tree | commitdiff |
| 2010-10-30 |
Sander Pronk | Added Windows macro for snprintf. |
tree | commitdiff |
| 2010-10-28 |
David van der Spoel | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
| 2010-10-28 |
Berk Hess | fixed pdb2gmx chain merging bug (bugzilla 544) |
tree | commitdiff |
| 2010-10-19 |
Per Larsson | Replaced _mm_castsi128_pd with gmx_mm_castsi128_pd... |
tree | commitdiff |
| 2010-10-18 |
Teemu Murtola | Use CMake install for install-mdrun (bugs #549, #555) |
tree | commitdiff |
| 2010-10-11 |
Roland Schulz | fixed spelling |
tree | commitdiff |
| 2010-10-09 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
| 2010-10-08 |
Berk Hess | fixed combination of tpic with pme, pme mesh energy... |
tree | commitdiff |
| 2010-09-23 |
Mark Abraham | Fixes for g_chi for bugzilla 569, so that it now uses... |
tree | commitdiff |
| 2010-09-23 |
Mark Abraham | Extensions to the gmx_residuetypes_t API to meet the... |
tree | commitdiff |
| 2010-09-20 |
Per Larsson | Changes to GB non-polar solvation calculations |
tree | commitdiff |
| 2010-09-17 |
Sander Pronk | Checkpoints backward-compatible + more consistency... |
tree | commitdiff |
| 2010-09-16 |
David van der Spoel | Corrected name of one of the developers listed in header. |
tree | commitdiff |
| 2010-09-15 |
Sander Pronk | More scheduler-friendly locks for gmxfio |
tree | commitdiff |
| 2010-09-10 |
Berk Hess | made sure the energy history from a checkpoint file... |
tree | commitdiff |
| 2010-09-09 |
Berk Hess | added SSE overflow check for TPI |
tree | commitdiff |
| 2010-09-09 |
Gerrit Groenhof | added environment variable to run orca in parallel |
tree | commitdiff |
| 2010-09-03 |
Sander Pronk | Added missing windows thread files to distribution... |
tree | commitdiff |
| 2010-09-01 |
Erik Lindahl | Added Gerrit to the list of authors. Sorry for forgetti... |
tree | commitdiff |
| 2010-09-01 |
Sander Pronk | Added support for PGI atomics in thread_mpi. |
tree | commitdiff |
| 2010-09-01 |
Sander Pronk | Final thread_mpi fixes (ppc works, no deadlocks on... |
tree | commitdiff |
| 2010-08-31 |
Rossen Apostolov | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
| 2010-08-31 |
Erik Lindahl | Added final newline to avoid compiler warning in sfactor.h |
tree | commitdiff |
| 2010-08-31 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
| 2010-08-31 |
Sander Pronk | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
| 2010-08-31 |
Sander Pronk | Fixed memory ordering issue on ppc with gcc&xlc. |
tree | commitdiff |
| 2010-08-31 |
Szilard Pall | Merge branch 'release-4-5-patches' of git://git.gromacs... |
tree | commitdiff |
| 2010-08-31 |
Sander Pronk | thread_mpi fixes: gcc works on power7, xlc still does... |
tree | commitdiff |
| 2010-08-30 |
Teemu Murtola | Cosmetic fix to include/CMakeLists.txt. |
tree | commitdiff |
| 2010-08-29 |
Sander Pronk | Made the dhdl_derivatives option do something when... |
tree | commitdiff |
| 2010-08-27 |
Erik Lindahl | Added longer list of authors... |
tree | commitdiff |
| 2010-08-27 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
| 2010-08-27 |
Christoph Junghans | added a missing include to sighandler.h |
tree | commitdiff |
| 2010-08-26 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
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