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alexxy/gromacs.git
2012-04-16
David van der...
Merge "Expanded the help text regarding the -r2 and...
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2012-04-16
Erik Marklund
Expanded the help text regarding the -r2 and -ac options.
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2012-04-16
Roland Schulz
Restart IO operations when interrupter by signal
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2012-04-12
Christoph Junghans
Reworked FindFFTW.cmake
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2012-04-11
Mark Abraham
Introduce include/gmxconfig.h
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2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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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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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-28
Christoph Junghans
Merge "Resolving clang analyzer warnings in analysis...
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2012-03-27
Roland Schulz
Resolving clang analyzer warnings in analysis
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2012-03-27
Berk Hess
added correction for PME virial with non-linear virtual...
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2012-03-26
Roland Schulz
Warn when a value is unused
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2012-03-23
Berk Hess
fixed g_bar xvg reading issue
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2012-03-21
Roland Schulz
Removing unused code
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2012-03-20
Roland Schulz
Fix incorrect fclose usage
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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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2012-03-18
David van der...
Merge "Merge release-4-5-patches into release-4-6"...
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2012-03-17
Berk Hess
fixed increasing memory usage with SHAKE and DD
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2012-03-17
David van der...
Removed qhop files from this branch.
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2012-03-16
Berk Hess
fixed incorrect table allocation
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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-03-15
Christoph Junghans
Merge "Clarified wording of documentation" into release...
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2012-03-15
Roland Schulz
Fix most errors found by cppcheck
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2012-03-15
Mark Abraham
Clarified wording of documentation
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2012-03-14
Szilard Pall
fixed appending OpenMP compiler option to flag list
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2012-03-14
Mark Abraham
Changed cryptic error messages about disk quota
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2012-03-13
Roland Schulz
Merge "mdrun -npme without PME or with PD now generates...
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2012-03-13
Christoph Junghans
Merge "Vibration spectra from velocity ACF or Normal...
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2012-03-13
Berk Hess
mdrun -npme without PME or with PD now generates a...
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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
David van der...
Vibration spectra from velocity ACF or Normal modes.
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2012-03-10
Roland Schulz
Activating more GCC warnings
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2012-03-10
Roland Schulz
Fix typo in Clang CFlags
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2012-03-09
Roland Schulz
Merge "Improve FindFFTW" into release-4-6
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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
Christoph Junghans
Make finite checks remember theirs results
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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
Christoph Junghans
Improve FindFFTW
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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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2012-03-01
Alexey Shvetsov
[tools] Move common functions from gmx_sans.c to nsfactor.c
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2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-02-28
Berk Hess
fixed array index out of bounds in EM force trr storage
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2012-02-26
Berk Hess
use separate PME nodes with #nodes>18
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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
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-23
Berk Hess
added tpx file tag string
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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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2012-02-21
Christoph Junghans
Merge "changed default epsilon-rf value to 0" into...
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2012-02-20
Berk Hess
changed default epsilon-rf value to 0
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2012-02-19
Berk Hess
Merge "Generate warnings for QMMM usage" into release-4-6
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2012-02-15
Gerrit Groenhof
Generate warnings for QMMM usage
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2012-02-15
Christoph Junghans
Removed FFTw2 support
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2012-02-15
Roland Schulz
Merge "Cmake: unite FindFFTW3* into one file" into...
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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
Berk Hess
fixed gmxcheck segv with tpr files without AdResS
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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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2012-02-10
Christoph Junghans
Cmake: unite FindFFTW3* into one file
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2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initial...
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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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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-03
David van der...
Merge "Improved the accuracy of the sd1 integrator...
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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
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
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2012-02-02
Szilard Pall
fixed confusing nonbonded kernel pointer initialization
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2012-02-02
Roland Schulz
Merges in threading branch as one squashed commit
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2012-02-02
Teemu Murtola
Merge "Revert "Fix ICC on Windows Build"" into release...
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2012-02-02
Berk Hess
Improved the accuracy of the sd1 integrator
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2012-02-01
Christoph Junghans
initialize adress_do_hybridpairs=FALSE by default
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2012-02-01
David van der...
Merge "g_sans - tool to compute SANS spectra" into...
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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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