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alexxy/gromacs.git
2012-04-18
Szilard Pall
added missing #ifdef around #include "thread_mpi.h"
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2012-04-17
Berk Hess
changed mdrun file locking not supported error to a...
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2012-04-16
Sander Pronk
Merge "Permit threads build on Cygwin" into release...
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2012-04-14
Teemu Murtola
Merge "Clarified warning message" into release-4-5...
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2012-04-14
Teemu Murtola
Merge "Clarified warning string" into release-4-5-patches
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2012-04-14
Mark Abraham
Described default output behaviour
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2012-04-14
Mark Abraham
Clarified warning message
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2012-04-14
Mark Abraham
Clarified warning string
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2012-04-12
Teemu Murtola
Read PDB information in read_tps_conf().
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2012-04-11
Roland Schulz
Fix that directory is not mistaken for binary
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2012-04-10
Mark Abraham
Made g_helix sensitive to CHARMM atom naming
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2012-04-10
Mark Abraham
Permit threads build on Cygwin
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2012-04-09
Christoph Junghans
Merge "Documentation and error message enhancements...
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2012-04-09
Mark Abraham
Documentation and error message enhancements
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2012-04-09
Mark Abraham
Lots of manual updates
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2012-04-09
Christoph Junghans
Merge "Consolidated documentation of .mdp restraint...
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2012-04-09
Mark Abraham
Consolidated documentation of .mdp restraint options
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2012-04-06
Roland Schulz
Fix domain decomposition setup for >46k cores
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2012-04-03
Roland Schulz
Merge "Fixes problems with g_msd and g_energy" into...
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2012-04-02
Michael Shirts
Fixes problems with g_msd and g_energy
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2012-04-02
David van der...
Merge "Improved pdb2gmx error message" into release...
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2012-04-02
Mark Abraham
Improved pdb2gmx error message
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2012-04-02
Mark Abraham
Keep CMake quiet about a Cygwin issue
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2012-03-27
Berk Hess
added correction for PME virial with non-linear virtual...
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2012-03-23
Berk Hess
fixed g_bar xvg reading issue
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2012-03-18
Christoph Junghans
Merge "Warnings against equilibrating with P-R P-coupli...
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2012-03-18
David van der...
Merge "Fix typo in Clang CFlags" into release-4-5-patches
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2012-03-18
Mark Abraham
Warnings against equilibrating with P-R P-coupling
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2012-03-17
Berk Hess
fixed increasing memory usage with SHAKE and DD
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2012-03-15
Christoph Junghans
Merge "Clarified wording of documentation" into release...
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2012-03-15
Mark Abraham
Clarified wording of documentation
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2012-03-14
Mark Abraham
Changed cryptic error messages about disk quota
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2012-03-12
Christoph Junghans
Merge "More editorial fixes to tool documentation"...
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2012-03-12
Teemu Murtola
Merge "Made description string for g_select -select...
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2012-03-10
Roland Schulz
Fix typo in Clang CFlags
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2012-03-09
David van der...
Merge "Improved cryptic error message" into release...
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2012-03-09
Carsten Kutzner
Merge "Improved warning note with DD and periodic molec...
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2012-03-09
Mark Abraham
More editorial fixes to tool documentation
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2012-03-09
Mark Abraham
Editorial changes to tools documentation
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2012-03-08
Mark Abraham
Improved warning note with DD and periodic molecules
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2012-03-08
Mark Abraham
Made description string for g_select -select clearer
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2012-03-08
Mark Abraham
Improved cryptic error message
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2012-03-08
David van der...
Merge "Minimal support for Clang" into release-4-5...
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2012-03-05
Berk Hess
fixed g_anaeig incorrect multiple extremes, fixes #870
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2012-03-05
Berk Hess
added check for mass-weighting with g_anaeig -entropy...
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2012-03-05
Berk Hess
removed initial temperature with OpenMM, fixes #757
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2012-03-04
Roland Schulz
Minimal support for Clang
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2012-02-28
Berk Hess
fixed array index out of bounds in EM force trr storage
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2012-02-25
David van der...
Merge "Minor formatting fixes to .mdp option documentat...
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2012-02-24
Mark Abraham
Minor formatting fixes to .mdp option documentation
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2012-02-23
Mark Abraham
Fix pdb2gmx -cmap in corner cases
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2012-02-22
Sander Pronk
Fixed ABI warning for thread_mpi on gcc 4.6 for x86.
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2012-02-21
Teemu Murtola
Merge "Use Git server (mirror) to avoid fetching proble...
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2012-02-21
Roland Schulz
Use Git server (mirror) to avoid fetching problems
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2012-02-13
Sander Pronk
Fixed an allocation issue with dH histograms.
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2012-02-11
Szilárd Páll
Merge changes If0c2f9d9,Ic2a8ad82 into release-4-5...
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2012-02-10
Mark Abraham
Fixed g_sham using more than three dimensions
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2012-02-10
Mark Abraham
Integer multiplication that checks for overflow
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2012-02-10
Christoph Junghans
Merge "Fixed bug with COM motion removal on part of...
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2012-02-06
Berk Hess
Fixed bug with COM motion removal on part of the system
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2012-02-05
Roland Schulz
Fix ICC on Windows Build
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2012-02-02
Szilárd Páll
Merge "Append all ICC Performance flags only to Release...
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2012-02-02
Teemu Murtola
Merge "Revert "Fix ICC on Windows Build"" into release...
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2012-02-01
David van der...
Merge "Fixed error message to identify the correct...
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2012-02-01
David van der...
Merge "Fixed trjconv -sub" into release-4-5-patches
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2012-02-01
David van der...
Merge "Improved error message" into release-4-5-patches
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2012-02-01
Mark Abraham
Fixed trjconv -sub
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2012-02-01
Mark Abraham
Fixed error message to identify the correct file
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2012-02-01
Christoph Junghans
Merge "Fix signed/unsigned warnings" into release-4...
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2012-02-01
Mark Abraham
Improved error message
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2012-01-31
Roland Schulz
Revert "Fix ICC on Windows Build"
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2012-01-31
Roland Schulz
Append all ICC Performance flags only to Release Flags
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2012-01-31
David van der...
Merge "Fix ICC on Windows Build" into release-4-5-patches
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2012-01-31
Mark Abraham
Merge "Corrected use of ?: in conditional" into release...
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2012-01-31
Roland Schulz
Fix signed/unsigned warnings
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2012-01-31
Mark Abraham
Made error message even more explicit
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2012-01-31
Roland Schulz
Fix ICC on Windows Build
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2012-01-31
Mark Abraham
Corrected use of ?: in conditional
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2012-01-25
Roland Schulz
Merge "New approach for GerritBuild script" into releas...
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2012-01-20
David van der...
Merge "Fixed timing measurements." into release-4-5...
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2012-01-18
Roland Schulz
New approach for GerritBuild script
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2012-01-17
Szilard Pall
Fixed timing measurements.
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2012-01-16
Sander Pronk
Thread affinity and x86 assembly fixes for thread_mpi
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2012-01-15
Christoph Junghans
Merge "Added CMake Toolchain file for BlueGene/P" into...
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2012-01-10
Mark Abraham
Fixed use of isfinite and _isfinite
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2012-01-04
Christoph Junghans
Merge "Documented the function of g_cluster -cl -noav...
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2012-01-04
David van der...
Introduced fatal error in grompp for incorrect use...
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2012-01-04
Mark Abraham
Added CMake Toolchain file for BlueGene/P
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2011-12-29
Mark Abraham
Documented the function of g_cluster -cl -noav
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2011-12-27
Roland Schulz
Merge "Added -dhdl to tpr file list, fixes #855" into...
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2011-12-20
Carsten Kutzner
Added -dhdl to tpr file list, fixes #855
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2011-12-20
Roland Schulz
Merge "Using MinSizeRel configuration and Release targe...
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2011-12-20
Roland Schulz
Merge changes Iaf4c56b7,Ibabed87f into release-4-5...
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2011-12-19
Christoph Junghans
Set GMX_*_ASM true if GMX_ACCELERATION != auto
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2011-12-15
Roland Schulz
Using MinSizeRel configuration and Release target on...
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2011-12-15
Roland Schulz
Testing external BLAS/LAPACK
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2011-12-15
Roland Schulz
Using 2 cores per build on Windows
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2011-12-14
Roland Schulz
Merge "Re-fixed static linking of maths libraries under...
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2011-12-14
Mark Abraham
Re-fixed static linking of maths libraries under UNIX
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2011-12-13
Roland Schulz
Merge "Relaxed some assumptions about trajectory times...
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