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alexxy/gromacs.git
2013-05-16
David van der...
Fixed two compilation issues.
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2013-05-02
Mark Abraham
Merge "Improve master-specific CMake behavior."
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2013-05-01
David van der...
Merge "Updated source for Van der Waals radii."
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2013-04-29
Teemu Murtola
Remove gmx_ana_index_t::name and unused code.
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2013-04-29
Christoph Junghans
Merge "Fix another bug in selection subexpression handl...
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2013-04-29
Christoph Junghans
Merge "Fix bug in selection subexpression handling."
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2013-04-25
David van der...
Updated source for Van der Waals radii.
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2013-04-17
Teemu Murtola
Add check for empty selections.
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2013-04-17
Teemu Murtola
Implement remaining SelectionOption flags.
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2013-04-12
David van der...
Merge "Add histogram output for 'gmx gangle'."
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2013-04-10
Teemu Murtola
Fix another bug in selection subexpression handling.
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2013-04-07
Teemu Murtola
Fix bug in selection subexpression handling.
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2013-03-26
Teemu Murtola
Improve master-specific CMake behavior.
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2013-03-26
Teemu Murtola
Add histogram output for 'gmx gangle'.
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2013-03-24
Teemu Murtola
Merge libgmxana into libgromacs.
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2013-03-22
Roland Schulz
Fix problems with intel-mpi
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2013-03-22
Teemu Murtola
Merge "Merge release-4-6 into master"
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2013-03-20
Roland Schulz
Merge release-4-6 into master
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2013-03-08
Teemu Murtola
Better test assertions for exceptions.
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2013-03-07
Teemu Murtola
Improve enum option interface.
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2013-03-07
Teemu Murtola
More flexible handling of enum option descriptions.
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2013-03-07
Teemu Murtola
Fix copyright notices for new C++ code.
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2013-03-07
Teemu Murtola
Update my e-mail address on author lines.
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2013-03-07
Teemu Murtola
Merge "Uncrustify template.cpp and selection.cpp."
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2013-03-07
Teemu Murtola
Merge "Merge release-4-6 into master"
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2013-03-06
Roland Schulz
Merge "fixed PME time print with -ntomp_pme != -ntomp...
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2013-03-05
Mark Abraham
New patch release 4.6.1
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2013-03-05
Mark Abraham
Fix automated regression testing GMXLIB value
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2013-03-05
Berk Hess
fixed bug with DD cut-off check and PME DLB
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2013-03-05
Mark Abraham
Fix regressiontests automated download
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2013-03-05
Berk Hess
fixed recent bug with sorting atoms for GPUs
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2013-03-05
Mark Abraham
Update shell completions
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2013-03-05
Mark Abraham
Update outdated admin things
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2013-03-05
Justin Lemkul
Fixes for install guide page.
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2013-03-05
Mark Abraham
Updated install guide
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2013-03-05
Mark Abraham
Warn if X11 was not found and the user wanted it
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2013-03-02
Christoph Junghans
Merge "Uncrustified code changes since 4.6" into releas...
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2013-02-28
Peter Kasson
Declaration-definition consistency nbxn_cuda_wait_gpu.
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2013-02-26
Berk Hess
fixed PME time print with -ntomp_pme != -ntomp
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2013-02-26
Roland Schulz
Merge release-4-6 into master
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2013-02-26
Christoph Junghans
Merge "Merge release-4-6 into master"
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2013-02-26
Mark Abraham
Uncrustified code changes since 4.6
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2013-02-25
Teemu Murtola
Uncrustify template.cpp and selection.cpp.
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2013-02-25
Michael Shirts
fix imcompatibility with tpr vers<64 with free energy...
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2013-02-20
Christoph Junghans
Bump shared object version to 8
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2013-02-20
Berk Hess
fixed issues with FEP soft-core and cut-off's
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-02-18
Berk Hess
fixed GPU particle gridding performance issue
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2013-02-18
Carsten Kutzner
Made g_tune_pme work with 4.6 if user sets "-p" command...
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2013-02-18
Mark Abraham
Fix CMake namespace pollution
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2013-02-18
Roland Schulz
Issue errors/warnings for ICC before 12.0.0
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2013-02-16
Roland Schulz
Add missing include
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2013-02-15
Michael Shirts
bugfix for md-vv + nose-hoover + (nstcalcenergy > nsttc...
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2013-02-15
Mark Abraham
Use explicit kernel pointer typecasts
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2013-02-15
Mark Abraham
Merge "Minor fixes to Verlet kernels" into release-4-6
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2013-02-15
Mark Abraham
Merge "improved PME load balancing reporting" into...
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2013-02-15
Mark Abraham
Merge "Re-generated group kernels" into release-4-6
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2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
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2013-02-15
David van der...
Merge "Fixed an initialization issue in gmx_dipoles...
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2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
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2013-02-15
Mark Abraham
Merge "More descriptive Verlet kernel macro parameter...
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2013-02-15
Sander Pronk
Fixed an initialization issue in gmx_dipoles.
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2013-02-15
Berk Hess
improved PME load balancing reporting
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2013-02-15
Mark Abraham
Minor fixes to Verlet kernels
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2013-02-15
Peter Kasson
Unwinds flag dependencies in g_order.
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2013-02-15
Mark Abraham
Merge "Fix and add Verlet kernel error messages" into...
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2013-02-13
Teemu Murtola
Fix velocity and force evaluation for empty selections.
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2013-02-13
Teemu Murtola
Change ConstArrayRef constructor argument order.
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2013-02-13
Teemu Murtola
Add continuous array accessors for selection data.
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2013-02-13
Teemu Murtola
Add tests for selection mass evaluation and fix it.
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2013-02-13
Sander Pronk
Merge "Fix code bug with thread-MPI on PowerPC with...
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2013-02-13
Roland Schulz
Merge "Fixed the MPI recognition string in g_tune_pme...
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2013-02-13
Roland Schulz
Merge "improve setup of multiple tf tables" into releas...
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2013-02-13
Roland Schulz
Merge release-4-6 into master
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2013-02-13
Roland Schulz
Merge release-4-6 into master
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2013-02-13
Roland Schulz
Code beautification with uncrustify
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2013-02-13
David van der...
Plain text quotes.
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2013-02-13
Mark Abraham
Fix code bug with thread-MPI on PowerPC with xlc
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2013-02-13
Mark Abraham
More descriptive Verlet kernel macro parameter names
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2013-02-13
Mark Abraham
Fix and add Verlet kernel error messages
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2013-02-13
Mark Abraham
Re-generated group kernels
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2013-02-13
Sander Pronk
Added extra check in for setaffinity support.
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2013-02-13
Carsten Kutzner
Fixed the MPI recognition string in g_tune_pme
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2013-02-13
Roland Schulz
Merge "Updated FindGSL.cmake to version written by...
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2013-02-12
Mark Abraham
Merge "PME-only counters are now reset with -maxh ...
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2013-02-12
Christoph Junghans
Updated FindGSL.cmake to version written by me.
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2013-02-12
Mark Abraham
Merge "fixed bug with sd integrator and OpenMP threadin...
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2013-02-12
Mark Abraham
Merge "Fix CUDA_HOST_COMPILER flag name" into release-4-6
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2013-02-12
Mark Abraham
Merge "Remove duplicated clang section"
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2013-02-12
Mark Abraham
Merge "Manual reformatting in preparation for uncrustify."
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2013-02-12
Mark Abraham
Merge "Fix gmxcheck target"
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2013-02-10
Teemu Murtola
Manual reformatting in preparation for uncrustify.
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2013-02-10
Szilárd Páll
use legacy CUDA non-bonded kernels only on Fermi
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2013-02-09
Roland Schulz
Merge "Typo fix" into release-4-6
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2013-02-09
Mark Abraham
Typo fix
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2013-02-08
Roland Schulz
Fix CUDA_HOST_COMPILER flag name
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2013-02-08
Roland Schulz
Remove duplicated clang section
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2013-02-08
Roland Schulz
Remove dummy.cpp
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2013-02-08
Mark Abraham
Merge "added back cuda.h includes to fix missing CUDA_V...
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2013-02-08
Mark Abraham
Merge "Fixed flop counting for generic cg/adress kernel...
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