2011-03-16 |
Sander Pronk | mdrun -multi, multidir and replica exchange now exchang... |
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2011-03-10 |
Sander Pronk | Added more support for multidir. |
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2011-02-11 |
Mark Abraham | Removed ancient CVS tag lines |
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2011-02-04 |
Roland Schulz | using set_mm_ps to make pgi happy |
tree | commitdiff |
2011-01-29 |
David van der Spoel | Merge branch 'release-4-5-patches' of git@git.gromacs... |
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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... |
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2011-01-25 |
Mark Abraham | Relocated some t_matrix documentation |
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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... |
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2010-10-30 |
Sander Pronk | Added Windows macro for snprintf. |
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2010-10-28 |
David van der Spoel | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-10-28 |
Berk Hess | fixed pdb2gmx chain merging bug (bugzilla 544) |
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2010-10-19 |
Per Larsson | Replaced _mm_castsi128_pd with gmx_mm_castsi128_pd... |
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2010-10-18 |
Teemu Murtola | Use CMake install for install-mdrun (bugs #549, #555) |
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2010-10-11 |
Roland Schulz | fixed spelling |
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2010-10-09 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-10-08 |
Berk Hess | fixed combination of tpic with pme, pme mesh energy... |
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2010-09-23 |
Mark Abraham | Fixes for g_chi for bugzilla 569, so that it now uses... |
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2010-09-23 |
Mark Abraham | Extensions to the gmx_residuetypes_t API to meet the... |
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2010-09-20 |
Per Larsson | Changes to GB non-polar solvation calculations |
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2010-09-17 |
Sander Pronk | Checkpoints backward-compatible + more consistency... |
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2010-09-16 |
David van der Spoel | Corrected name of one of the developers listed in header. |
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2010-09-15 |
Sander Pronk | More scheduler-friendly locks for gmxfio |
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2010-09-10 |
Berk Hess | made sure the energy history from a checkpoint file... |
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2010-09-09 |
Berk Hess | added SSE overflow check for TPI |
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2010-09-09 |
Gerrit Groenhof | added environment variable to run orca in parallel |
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2010-09-03 |
Sander Pronk | Added missing windows thread files to distribution... |
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2010-09-01 |
Erik Lindahl | Added Gerrit to the list of authors. Sorry for forgetti... |
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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... |
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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... |
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2010-08-31 |
Sander Pronk | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-08-31 |
Sander Pronk | Fixed memory ordering issue on ppc with gcc&xlc. |
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2010-08-31 |
Szilard Pall | Merge branch 'release-4-5-patches' of git://git.gromacs... |
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2010-08-31 |
Sander Pronk | thread_mpi fixes: gcc works on power7, xlc still does... |
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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... |
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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... |
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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 |
2010-08-26 |
Erik Lindahl | Modified pdb2gmx to automatically pick the force field... |
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2010-08-26 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-08-26 |
Erik Lindahl | true/false input settings should be called bool instead... |
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2010-08-26 |
Sander Pronk | Free energy writing to ener.edr and four new options... |
tree | commitdiff |
2010-08-26 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
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2010-08-26 |
Erik Lindahl | Revert "Made pdb2gmx be slightly more helpful when... |
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2010-08-25 |
Erik Lindahl | Fixed include path in vmdio.h |
tree | commitdiff |
2010-08-25 |
Erik Lindahl | Forgot to actually do the char->int change... |
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2010-08-25 |
Erik Lindahl | Changed bool to signed integer instead of unsigned... |
tree | commitdiff |
2010-08-25 |
Rossen Apostolov | Redefine the default boolean type to gmx_bool. |
tree | commitdiff |
2010-08-25 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
2010-08-25 |
Mark Abraham | Made pdb2gmx be slightly more helpful when using AMBER... |
tree | commitdiff |
2010-08-24 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
2010-08-24 |
Sander Pronk | Another try with xlc/ppc atomics.. |
tree | commitdiff |
2010-08-24 |
Berk Hess | fixed pdb2gmx behavior for nearly matching residue... |
tree | commitdiff |
2010-08-23 |
Sander Pronk | Modified memory barrier on ppc/xlc. |
tree | commitdiff |
2010-08-23 |
Sander Pronk | Enabled gcc atomic intrinsics for gcc on ppc. |
tree | commitdiff |
2010-08-23 |
Sander Pronk | More xlc ppc changes to thread_mpi |
tree | commitdiff |
2010-08-23 |
Christoph Junghans | fixed 2 typos in headers |
tree | commitdiff |
2010-08-23 |
Rossen Apostolov | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
2010-08-23 |
Berk Hess | removed the pdb2gmx -cwd option and updated the pdb2gmx... |
tree | commitdiff |
2010-08-23 |
Berk Hess | pdb2gmx now prints the force field dir before the selec... |
tree | commitdiff |
2010-08-23 |
Sander Pronk | Completely removed all occurrences of 'inline' for... |
tree | commitdiff |
2010-08-22 |
Erik Lindahl | Replaced all occurences of str(n)casecmp with gmx_str... |
tree | commitdiff |
2010-08-22 |
Erik Lindahl | Fixed a typo in futil.h |
tree | commitdiff |
2010-08-22 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
2010-08-22 |
Erik Lindahl | Cleaned up all installed headers to remove strict depen... |
tree | commitdiff |
2010-08-22 |
Erik Lindahl | Removed some unnecessary #ifdefs from string2.h; all... |
tree | commitdiff |
2010-08-21 |
Erik Lindahl | Fixed a minor bug that caused Fortran builds to fail... |
tree | commitdiff |
2010-08-21 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
2010-08-21 |
Erik Lindahl | Double precision SSE2 kernels for Generalized Born... |
tree | commitdiff |
2010-08-20 |
Sander Pronk | Added support for new mdp options controlling free... |
tree | commitdiff |
2010-08-20 |
Berk Hess | added dt to energy file frames |
tree | commitdiff |
2010-08-19 |
Michael Shirts | Additional fixes to the nsttcouple and nstpcouple worki... |
tree | commitdiff |
2010-08-19 |
Michael Shirts | Proposed fix for v-rescale and berendsen for velocity... |
tree | commitdiff |
2010-08-19 |
Michael Shirts | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
2010-08-18 |
Erik Lindahl | Updated GB SSE2 kernels, testing in progress now... |
tree | commitdiff |
2010-08-18 |
Michael Shirts | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
2010-08-18 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
2010-08-18 |
Erik Lindahl | Fix to write GB and surface energy to separate terms... |
tree | commitdiff |
2010-08-18 |
Michael Shirts | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
2010-08-18 |
Berk Hess | removed the bNEMD boolean from the main MD loop and... |
tree | commitdiff |
2010-08-17 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
2010-08-17 |
Sander Pronk | Fixed thread_mpi inline assembly issue and non-optimize... |
tree | commitdiff |
2010-08-17 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
2010-08-17 |
Michael Shirts | Merge branch 'release-4-5-patches' of git@git.gromacs... |
tree | commitdiff |
2010-08-17 |
Berk Hess | added function rescale_velocities |
tree | commitdiff |
2010-08-16 |
Berk Hess | gmx_rmpbc gets natoms passed again, without natoms... |
tree | commitdiff |
2010-08-16 |
Sander Pronk | Moved the OS-dependent part of gmx_fio_fsync() to futil.c |
tree | commitdiff |
2010-08-13 |
Berk Hess | moved full precision real format definition to simple.h |
tree | commitdiff |
2010-08-12 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
2010-08-12 |
Erik Lindahl | Fixed checkpoint problem in 32 bits. We should always... |
tree | commitdiff |
2010-08-12 |
Erik Lindahl | Merge branch 'release-4-5-patches' of git.gromacs.org... |
tree | commitdiff |
2010-08-12 |
Erik Lindahl | Fixed SSE kernels in double precision for Cmake, workin... |
tree | commitdiff |
2010-08-11 |
Sander Pronk | C++ type fixes in thread_mpi atomics. |
tree | commitdiff |
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