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Merge branch 'release-4-5-patches' into release-4-6
[alexxy/gromacs.git]
/
include
/
2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2012-08-23
Sander Pronk
Newer version of thread_mpi, with various fixes, includ...
tree
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commitdiff
2012-08-20
Christoph Junghans
Merge "Fixing of things associated with aminoacid.rtp...
tree
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commitdiff
2012-08-11
Mark Abraham
Fixing of things associated with aminoacid.rtp header
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commitdiff
2012-08-07
Christoph Junghans
Merge "fixed incorrect TPI results with dynamic box...
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commitdiff
2012-08-07
Carsten Kutzner
Fixed essential dynamics / flooding group PBC serial
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commitdiff
2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
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commitdiff
2012-07-15
David van der Spoel
Merge "Autogenerate gromacs.7 from programs.txt" into...
tree
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commitdiff
2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
tree
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commitdiff
2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
tree
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commitdiff
2012-06-25
Szilard Pall
introduce gmx_omp wrapper for the OpenMP API
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commitdiff
2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
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commitdiff
2012-06-22
Christoph Junghans
Merge "Simple patch for openmm_wrapper.cpp" into releas...
tree
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commitdiff
2012-06-19
Mark Abraham
Merge "Fixes #882 - looping bug in trxio.c" into relea...
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commitdiff
2012-06-16
Erik Lindahl
New CPU detection & AVX/SSE code, removed raw assembly...
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commitdiff
2012-06-16
David van der Spoel
Fixes #882 - looping bug in trxio.c
tree
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commitdiff
2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
tree
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commitdiff
2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into releas...
tree
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commitdiff
2012-06-01
Christoph Junghans
Merge "Replace our fftpack version with Numpy's version...
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commitdiff
2012-05-29
Sander Pronk
Removed dependency on windows.h through commrec.h,...
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commitdiff
2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
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commitdiff
2012-05-27
David van der Spoel
Merge "added explicit sqrtf to the float version of...
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commitdiff
2012-05-25
Roland Schulz
Made all vmdio headers private
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commitdiff
2012-05-25
David van der Spoel
Merge "grompp now retains the order of bonds converted...
tree
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commitdiff
2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
tree
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commitdiff
2012-05-24
Berk Hess
now mdrun always initializes MPI
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commitdiff
2012-05-24
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
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commitdiff
2012-05-23
Roland Schulz
Code cleanup to avoid name collisions
tree
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commitdiff
2012-05-22
Szilard Pall
added explicit sqrtf to the float version of norm
tree
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commitdiff
2012-05-18
Roland Schulz
Rename BOOL to EBOOL
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commitdiff
2012-05-17
Teemu Murtola
Merge "Fixing more clang warnings" into release-4-6
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commitdiff
2012-05-17
Maarten Wolf
mv membed.h from include to src/kernel
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commitdiff
2012-05-09
Christoph Junghans
Merge "Backporting "moving membed to mdrun" from master...
tree
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commitdiff
2012-05-08
Maarten Wolf
Backporting "moving membed to mdrun" from master
tree
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commitdiff
2012-05-08
Roland Schulz
Fixing more Clang warnings
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commitdiff
2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
tree
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commitdiff
2012-05-02
Teemu Murtola
Remove #include <config.h> from pull_rotation.h.
tree
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-29
David van der Spoel
Merge "added support for graphs not starting at 0"...
tree
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-26
Berk Hess
added support for graphs not starting at 0
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commitdiff
2012-04-26
Berk Hess
Merge "Merge release-4-5-patches into release-4-6"...
tree
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commitdiff
2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-26
Szilárd Páll
Merge "fixed initial COM motion removal with multiple...
tree
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commitdiff
2012-04-26
David van der Spoel
Merge "Various improvements to shell code" into release...
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commitdiff
2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
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commitdiff
2012-04-24
Berk Hess
Merge "allow -append to overrule unsupported file locki...
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commitdiff
2012-04-23
Christoph Junghans
Merge "compiler flag fixes" into release-4-6
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commitdiff
2012-04-22
Roland Schulz
Resolving a couple of clang analyzer warnings
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commitdiff
2012-04-22
Roland Schulz
Merge "enable command line option cheking in mdrun...
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commitdiff
2012-04-18
Berk Hess
allow -append to overrule unsupported file locking
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commitdiff
2012-04-17
Mark Abraham
Added Windows-specific #defines, and use them
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commitdiff
2012-04-17
Mark Abraham
Rename gmxconfig.h to gmx_header_config.h
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commitdiff
2012-04-16
David van der Spoel
Merge "Added support for dssp2.X with the -ver option...
tree
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commitdiff
2012-04-16
Sander Pronk
Merge "Permit threads build on Cygwin" into release...
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commitdiff
2012-04-11
Mark Abraham
Introduce include/gmxconfig.h
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commitdiff
2012-04-10
Mark Abraham
Permit threads build on Cygwin
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commitdiff
2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2012-03-27
Berk Hess
added correction for PME virial with non-linear virtual...
tree
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commitdiff
2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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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...
tree
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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
tree
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commitdiff
2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2012-02-22
Sander Pronk
Fixed ABI warning for thread_mpi on gcc 4.6 for x86.
tree
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commitdiff
2012-02-11
Szilárd Páll
Merge changes If0c2f9d9,Ic2a8ad82 into release-4-5...
tree
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commitdiff
2012-02-10
Mark Abraham
Integer multiplication that checks for overflow
tree
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commitdiff
2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
tree
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commitdiff
2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initial...
tree
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commitdiff
2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2012-02-03
David van der Spoel
Merge "Improved the accuracy of the sd1 integrator...
tree
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commitdiff
2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
tree
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commitdiff
2012-02-02
Roland Schulz
Merges in threading branch as one squashed commit
tree
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commitdiff
2012-02-02
Teemu Murtola
Merge "Revert "Fix ICC on Windows Build"" into release...
tree
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commitdiff
2012-02-01
David van der Spoel
Merge "g_sans - tool to compute SANS spectra" into...
tree
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commitdiff
2012-02-01
Christoph Junghans
Merge "Fix signed/unsigned warnings" into release-4...
tree
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commitdiff
2012-01-31
David van der Spoel
Merge "Fix ICC on Windows Build" into release-4-5-patches
tree
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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"...
tree
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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...
tree
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commitdiff
2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-01-16
Sander Pronk
Thread affinity and x86 assembly fixes for thread_mpi
tree
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commitdiff
2012-01-15
Christoph Junghans
Merge "Added CMake Toolchain file for BlueGene/P" into...
tree
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commitdiff
2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
tree
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commitdiff
2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
tree
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commitdiff
2012-01-10
Mark Abraham
Fixed use of isfinite and _isfinite
tree
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commitdiff
2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2011-12-19
Carsten Kutzner
Enforced rotation
tree
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commitdiff
2011-12-14
Roland Schulz
Merge "Re-fixed static linking of maths libraries under...
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commitdiff
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