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Merge "Expanded the help text regarding the -r2 and -ac options." into release-4-6
[alexxy/gromacs.git]
/
include
/
2012-04-11
Mark Abraham
Introduce include/gmxconfig.h
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commitdiff
2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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commitdiff
2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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commitdiff
2012-03-27
Berk Hess
added correction for PME virial with non-linear virtual...
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commitdiff
2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-03-15
Roland Schulz
Fix most errors found by cppcheck
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commitdiff
2012-03-13
Christoph Junghans
Merge "Vibration spectra from velocity ACF or Normal...
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commitdiff
2012-03-10
Roland Schulz
Activating more GCC warnings
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commitdiff
2012-03-09
Roland Schulz
Merge "Improve FindFFTW" into release-4-6
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commitdiff
2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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commitdiff
2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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commitdiff
2012-02-22
Sander Pronk
Fixed ABI warning for thread_mpi on gcc 4.6 for x86.
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commitdiff
2012-02-11
Szilárd Páll
Merge changes If0c2f9d9,Ic2a8ad82 into release-4-5...
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commitdiff
2012-02-10
Mark Abraham
Integer multiplication that checks for overflow
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commitdiff
2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
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commitdiff
2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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commitdiff
2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initial...
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commitdiff
2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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commitdiff
2012-02-03
David van der Spoel
Merge "Improved the accuracy of the sd1 integrator...
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commitdiff
2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
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commitdiff
2012-02-02
Roland Schulz
Merges in threading branch as one squashed commit
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commitdiff
2012-02-02
Teemu Murtola
Merge "Revert "Fix ICC on Windows Build"" into release...
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commitdiff
2012-02-01
David van der Spoel
Merge "g_sans - tool to compute SANS spectra" into...
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commitdiff
2012-02-01
Christoph Junghans
Merge "Fix signed/unsigned warnings" into release-4...
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commitdiff
2012-01-31
David van der Spoel
Merge "Fix ICC on Windows Build" into release-4-5-patches
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commitdiff
2012-01-25
Alexey Shvetsov
g_sans - tool to compute SANS spectra
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commitdiff
2012-01-25
Roland Schulz
Merge "Merge release-4-5-patches into release-4-6"...
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commitdiff
2012-01-25
Roland Schulz
Merge "New approach for GerritBuild script" into releas...
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commitdiff
2012-01-25
Berk Hess
Merge "Added two new bonded functions." into release-4-6
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commitdiff
2012-01-25
David van der Spoel
Added two new bonded functions.
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commitdiff
2012-01-24
Sebastian Fritsch
Merge "document AdResS mdp options" into release-4-6
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commitdiff
2012-01-23
Carsten Kutzner
New tool that extracts dye dynamics from trajectories
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commitdiff
2012-01-20
David van der Spoel
Merge "Fixed timing measurements." into release-4-5...
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commitdiff
2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-01-16
Sander Pronk
Thread affinity and x86 assembly fixes for thread_mpi
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commitdiff
2012-01-15
Christoph Junghans
Merge "Added CMake Toolchain file for BlueGene/P" into...
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commitdiff
2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
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commitdiff
2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
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commitdiff
2012-01-10
Mark Abraham
Fixed use of isfinite and _isfinite
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commitdiff
2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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commitdiff
2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2011-12-19
Carsten Kutzner
Enforced rotation
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commitdiff
2011-12-14
Roland Schulz
Merge "Re-fixed static linking of maths libraries under...
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commitdiff
2011-12-13
Roland Schulz
Merge "Converted macro usage for readability" into...
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commitdiff
2011-12-13
Roland Schulz
Merge "Relaxed some assumptions about trajectory times...
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commitdiff
2011-12-13
Mark Abraham
Relaxed some assumptions about trajectory times
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commitdiff
2011-12-12
Mark Abraham
Fixed macros that ended in semicolons
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commitdiff
2011-12-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2011-12-08
Roland Schulz
Merge "Added an option to easily compile contrib progra...
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commitdiff
2011-11-30
Roland Schulz
Merge "Merge remote-tracking branch 'gerrit/release...
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commitdiff
2011-11-27
Roland Schulz
Merge "Fixes inconsistent spelling of Git cmake variabl...
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commitdiff
2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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commitdiff
2011-11-27
Roland Schulz
Merge "Replace '_' in all mdp options to '-'" into...
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commitdiff
2011-11-27
Roland Schulz
Merge "Cleaning up some bad coding practices" into...
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commitdiff
2011-11-27
Roland Schulz
Merge "Added support for submission to cdash servers...
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commitdiff
2011-11-25
Roland Schulz
Merge "Changed cryptic variable names" into release-4-6
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commitdiff
2011-11-25
Roland Schulz
Cleaning up some bad coding practices
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commitdiff
2011-11-25
Mark Abraham
Changed cryptic variable names
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commitdiff
2011-11-08
Christoph Junghans
Merge "Fixed bug #830 (segv in do_dssp)" into release...
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commitdiff
2011-11-08
Kasson
Merge "Fix for GB, double, SSE2 and optimized kernels...
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commitdiff
2011-10-27
Mark Abraham
Made reading of binary matrices more robust
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commitdiff
2011-10-20
Christoph Junghans
Merge "Changed default value for g_anaeig -last to...
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commitdiff
2011-10-20
Christoph Junghans
Merge "Add CMakeLists.txt.user to gitignore" into relea...
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commitdiff
2011-10-15
Christoph Junghans
Merge "Fixes MPI_GROUP_EMPTY for tMPI" into release-4-6
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commitdiff
2011-10-11
Roland Schulz
Fixes MPI_GROUP_EMPTY for tMPI
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commitdiff
2011-09-27
Mark Abraham
Removed autotools and references to them.
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commitdiff
2011-09-19
Rossen Apostolov
Merge "Resolved gerrit issue https://gerrit.gromacs...
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commitdiff
2011-09-19
David van der Spoel
Resolved gerrit issue https://gerrit.gromacs.org/#chang...
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commitdiff
2011-09-16
Erik Lindahl
Merge "made allocation for LINCS with particle decompos...
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commitdiff
2011-09-13
Berk Hess
Merge "Remove segv in xpm2ps, fixes #611" into release...
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commitdiff
2011-09-06
Mark Abraham
Fix bug with large ints without MPI_IN_PLACE
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commitdiff
2011-09-05
Michael Shirts
Merge "fixed incorrect pV term in the energy file"...
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commitdiff
2011-08-29
Berk Hess
fixed incorrect pV term in the energy file
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commitdiff
2011-08-12
Berk Hess
implemented full exclusion support for the charge-group...
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commitdiff
2011-07-11
Carsten Kutzner
Added two missing headers
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commitdiff
2011-07-06
Carsten Kutzner
Added globsig.h to include/types/Makefile.am
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commitdiff
2011-07-01
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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commitdiff
2011-06-10
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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commitdiff
2011-06-08
Sander Pronk
Added support for SunCC on Solaris/SPARC.
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commitdiff
2011-05-31
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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commitdiff
2011-05-23
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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commitdiff
2011-05-06
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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commitdiff
2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2011-04-21
Erik Marklund
Merge branch 'release-4-5-patches' of git@git.gromacs...
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commitdiff
2011-04-21
Sander Pronk
Added prototypes for functions in md_support.c to mdrun.h
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commitdiff
2011-04-21
David van der Spoel
First version of a Density of States analysis tool.
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commitdiff
2011-04-20
Sander Pronk
Revert "NUMA aware memory allocators get called (for...
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commitdiff
2011-04-20
Sander Pronk
NUMA aware memory allocators get called (for Windows).
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commitdiff
2011-04-20
Sander Pronk
New thread_mpi library, with NUMA aware allocator for...
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commitdiff
2011-04-14
Mark Abraham
Moved various support functions for do_md into mdlib
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commitdiff
2011-04-14
Mark Abraham
Moved iterated-constraints code into mdlib
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commitdiff
2011-04-14
Mark Abraham
Moved heuristic neighbor-list code into mdlib
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commitdiff
2011-04-14
Mark Abraham
Fixed code duplication
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commitdiff
2011-04-14
Mark Abraham
Fixed header #ifndef test
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commitdiff
2011-04-11
Justin A. Lemkul
Made g_protonate (partially) work.
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commitdiff
2011-04-06
David van der Spoel
Fixed header for gmx_conect_init
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commitdiff
2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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commitdiff
2011-04-04
David van der Spoel
Made new programs compile with gcc -pedantic.
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commitdiff
2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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commitdiff
2011-03-30
Mark Abraham
Suppressed Cygwin C-only compiler warnings
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