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alexxy/gromacs.git
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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2012-03-15
Roland Schulz
Fix most errors found by cppcheck
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2012-03-14
Szilard Pall
fixed appending OpenMP compiler option to flag list
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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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2012-03-10
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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2012-03-09
Roland Schulz
Merge "Improve FindFFTW" into release-4-6
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2012-03-08
Christoph Junghans
Make finite checks remember theirs results
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2012-03-08
Christoph Junghans
Improve FindFFTW
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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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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
Martin Hoefling
implemented -intra switch for g_dist (now based on...
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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
David van der...
Changed order of parameters in top file
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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
Alexey Shvetsov
g_sans - tool to compute SANS spectra
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2012-01-25
Roland Schulz
Merge "Merge release-4-5-patches into release-4-6"...
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2012-01-25
Roland Schulz
Merge "New approach for GerritBuild script" into releas...
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2012-01-25
Berk Hess
Merge "Added two new bonded functions." into release-4-6
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2012-01-25
David van der...
Added two new bonded functions.
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2012-01-25
Christoph Junghans
make gromacs manual build again
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2012-01-24
Sebastian Fritsch
Merge "document AdResS mdp options" into release-4-6
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2012-01-23
Christoph Junghans
document AdResS mdp options
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2012-01-23
Carsten Kutzner
New tool that extracts dye dynamics from trajectories
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2012-01-20
David van der...
Merge "Fixed timing measurements." into release-4-5...
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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-01-18
Roland Schulz
New approach for GerritBuild script
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2012-01-18
Roland Schulz
Revert "Replace stderr by stdout in editconf terminal...
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2012-01-17
Szilard Pall
Fixed timing measurements.
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2012-01-17
David van der...
Replace stderr by stdout in editconf terminal output...
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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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2012-01-14
Mark Abraham
Merge "Remove use of FindMPI.cmake" into release-4-6
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2012-01-14
Mark Abraham
Merge "Removing outdated vsite comment" into release-4-6
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2012-01-14
Mark Abraham
Remove use of FindMPI.cmake
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2012-01-14
Christoph Junghans
CMake improvements
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2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
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2012-01-13
Roland Schulz
Removing outdated vsite comment
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2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
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2012-01-10
Mark Abraham
Fixed use of isfinite and _isfinite
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2012-01-09
Mark Abraham
Fixed MSVC compiling with plug-in support
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2012-01-09
Mark Abraham
Fixed use of _snprintf_s with MSVC
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2012-01-08
Roland Schulz
Check for VMD plugins that they are at least abi-version 10
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2012-01-07
Mark Abraham
Made use of VMD plugins more robust
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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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