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alexxy/gromacs.git
2014-11-26
Christoph Junghans
Merge release-5-0 into master
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2014-11-26
Roland Schulz
Fix clang with boost 1.46.1 and 1.47
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2014-11-26
Teemu Murtola
Add some unit tests for surface area calculation
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2014-11-26
Mark Abraham
Fix trjconv modifying fr.time unnecessarily
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2014-11-26
Roland Schulz
Merge release-5-0 into master
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2014-11-26
Mark Abraham
Move code to domdec module folder
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2014-11-25
Berk Hess
Fixed twin-range + freeze + constraints
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2014-11-24
Berk Hess
Avoid NaN in rlist buffer calculation
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2014-11-24
Magnus Lundborg
When writing TNG the input must contain molecule data.
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2014-11-23
Teemu Murtola
Rename doc-* targets to be less generic
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2014-11-23
Roland Schulz
Set GMX_SIMD to MIC for Xeon Phi
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2014-11-21
Christoph Junghans
Added .travis.yml
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2014-11-21
Teemu Murtola
Describe doc-check in developer manual
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2014-11-21
Teemu Murtola
Skeleton for a developer manual
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2014-11-17
Szilárd Páll
Allow increasing CUDA thread block size
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2014-11-17
Szilárd Páll
Add CUDA compiler support for CC 5.0
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2014-11-14
Teemu Murtola
Refactor position-evaluated selection keyword handling
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2014-11-14
Szilárd Páll
Start nvprof profiling at counter reset
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2014-11-12
Roland Schulz
Use stat to check that paths are equivalent
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2014-11-12
Berk Hess
Corrected parameter for sorting on search grid
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2014-11-12
Berk Hess
Fix DD bonded interaction range print
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2014-11-12
Roland Schulz
Add bitmask type
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2014-11-12
Carsten Kutzner
Updated some .mdp file variables to use "-" instead...
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2014-11-09
Justin Lemkul
Removed spurious GLY dihedral in AMBER03.
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2014-11-09
Viveca Lindahl
Fixed typo in cmake warning.
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2014-11-09
Roland Schulz
Backport valgrind suppression
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2014-11-09
Roland Schulz
Fix CMP0054 cmake 3.1.0 warnings
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2014-11-05
Roland Schulz
Minor update of boost README
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2014-10-30
Teemu Murtola
Add more selection unit tests
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2014-10-30
Teemu Murtola
Fix more memory leaks in default group creation
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2014-10-30
Teemu Murtola
Fix memory leak in default index group creation
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2014-10-30
Roland Schulz
Merge "Merge release-5-0 into master"
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2014-10-29
Teemu Murtola
Merge release-5-0 into master
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2014-10-29
Teemu Murtola
Improve analysis nbsearch grid mapping
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2014-10-28
David van der...
Even more refreshing quotes.
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2014-10-28
Teemu Murtola
Avoid common.h inclusion in CUDA code
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2014-10-26
Roland Schulz
Add Windows support for host-/username
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2014-10-23
Teemu Murtola
Move truncate() wrapper to futil.h
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2014-10-23
Teemu Murtola
Encapsulate use of nice()
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2014-10-22
Teemu Murtola
Collect more platform-specific code to sysinfo.h
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2014-10-22
Teemu Murtola
Rename common.h to classhelpers.h
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2014-10-22
Teemu Murtola
Move basic macros from common.h to basedefinitions.h
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2014-10-22
Roland Schulz
Remove Catamount cmake
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2014-10-21
Roland Schulz
Fix C++11 flags for MingW
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2014-10-20
Roland Schulz
Create scoped_cptr to replace scoped_ptr_sfree
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2014-10-20
Roland Schulz
Used IWYU to partially clean up some includes
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2014-10-20
Berk Hess
Removed f_novirsum reduction in Verlet scheme
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2014-10-20
Carsten Kutzner
Fix order of ED/swap blocks during checkpoint reading.
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2014-10-17
Mark Abraham
Extend gmock to turn off socket listener
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2014-10-17
Mark Abraham
Move code to what will become the ewald module
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2014-10-15
Mark Abraham
Converted many integrator-loop files to C++
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2014-10-14
David van der...
Reorganizing analysis of correlation functions.
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2014-10-14
Teemu Murtola
Check config.h usage in doc-check
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2014-10-14
Teemu Murtola
Use analysis nbsearch in insert-molecules
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2014-10-13
Mark Abraham
Merge release-4-6 into release-5-0
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2014-10-12
Roland Schulz
Fix misidentification of dot in path name
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2014-10-11
Teemu Murtola
Clean up gmx insert-molecules
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2014-10-11
Teemu Murtola
Make 'gmx insert-molecules' tests test output
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2014-10-11
Teemu Murtola
Generalize command-line unit testing machinery
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2014-10-09
Mark Abraham
Fixed minor issue with NPT conserved energy
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2014-10-09
Mark Abraham
Clean up cshake() and resolve old issues
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2014-10-07
Berk Hess
Fixes issue with vsiten and Verlet buffers
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2014-10-06
Mark Abraham
Fix trjconv -split not closing files
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2014-10-05
Roland Schulz
Allow runAsMainSingleModule to be called more than...
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2014-10-03
Mark Abraham
Move pair-interaction code into listed-forces module
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2014-10-03
Teemu Murtola
More robust handling for installed headers
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2014-10-03
Mark Abraham
Unite code for handling listed pairs
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2014-10-01
Mark Abraham
Merge release-5-0 into master
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2014-10-01
Mark Abraham
Version bumps after new release
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2014-10-01
Mark Abraham
Version 5.0.2
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2014-10-01
Carsten Kutzner
Allow gmx tune_pme to skip the check for command-line...
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2014-09-30
Erik Lindahl
Add Power8 VSX SIMD support
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2014-09-30
Szilard Pall
Fix incorrect LJ cut-off with GPU + PME tuning
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2014-09-30
Berk Hess
Avoid DLB with overloaded PME ranks
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2014-09-30
Berk Hess
Added GPU local wait to load balancing
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2014-09-30
Erik Lindahl
Avoid using function calls in OpenMP directives
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2014-09-29
Berk Hess
Domain decomposition now checks the rlist buffer
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2014-09-29
Roland Schulz
Clarify GCC+Win+AVX warning
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2014-09-29
Berk Hess
SIMD acceleration for RB dihedrals
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2014-09-29
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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2014-09-29
Berk Hess
Avoid PME tuning decreasing rcoulomb
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2014-09-29
Roland Schulz
Merge release-4-6 into release-5-0
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2014-09-29
Berk Hess
Fix calc_grid avoiding PME grid factor 84
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2014-09-26
Rossen Apostolov
Converted swap module to C++.
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2014-09-26
Szilárd Páll
Fix incorrect assertion statement
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2014-09-23
Mark Abraham
Renamed bonded module as 'listed-forces'
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2014-09-23
Mark Abraham
Refactor mdrun integration tests
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2014-09-23
Roland Schulz
Fix ICC warnings
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2014-09-23
David van der...
Fixes potential bug in neighborsearching.
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2014-09-23
Teemu Murtola
Reorganize CPack management
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2014-09-23
Teemu Murtola
Generate man pages and completions by default if possible
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2014-09-22
Mark Abraham
More quotes
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2014-09-22
Teemu Murtola
Merge "Merge release-5-0 into master"
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2014-09-22
Roland Schulz
Fix message about incorrect usage of dihedral type 9
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2014-09-22
Erik Lindahl
More quotes
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2014-09-21
Roland Schulz
Merge release-5-0 into master
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2014-09-21
Teemu Murtola
Introduce a variable to identify in-source build
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2014-09-21
Teemu Murtola
Skip man/html/completion generation if not needed
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2014-09-20
Teemu Murtola
Remove duplication in version info target creation
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2014-09-20
Erik Lindahl
Fix RelWithDebInfo name bugs, and use full optimization.
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