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alexxy/gromacs.git
2015-11-16
Mark Abraham
Merge branch release-5-1
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2015-11-15
Mark Abraham
Remove AdResS
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2015-11-15
Teemu Murtola
Add EnumOption with support for proper enum types
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2015-11-15
David van der...
Merged legacyheaders/types/inputrec.h into mdtypes...
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2015-11-15
Mark Abraham
Move responsibility for FFT description string
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2015-11-15
David van der...
Merged legacyheaders/types/state.h into mdtypes/state.h
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2015-11-15
Teemu Murtola
Fix reporting of unused cycle suppressions
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2015-11-14
Mark Abraham
Moved all cool stuff to its own file
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2015-11-14
Mark Abraham
Fix walltime measurement with bgclang
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2015-11-14
Teemu Murtola
Move network.h to gmxlib/
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2015-11-14
Berk Hess
Optimized the bonded thread force reduction
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2015-11-14
Teemu Murtola
Move gmx_ga2la.h to domdec/
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2015-11-13
Carsten Kutzner
Ion/water position swapping for multiple ion types...
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2015-11-13
David van der...
Replaced atom_id by int.
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2015-11-13
Teemu Murtola
Remove t_commrec dependency from cmdlineinit.cpp
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2015-11-13
Teemu Murtola
Move gmx_detect_hardware.h to gmxlib/
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2015-11-13
Teemu Murtola
Move nonbonded.h to gmxlib/nonbonded/
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2015-11-13
Teemu Murtola
Let users build without compiler warnings
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2015-11-13
Teemu Murtola
Merge types/nsgrid.h into nsgrid.h
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2015-11-13
Mark Abraham
Update includesorter.py
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2015-11-13
David van der...
Moved genborn.h to mdlib
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2015-11-13
Teemu Murtola
Report unused cycle suppressions
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2015-11-12
David van der...
Moved txtdump.* to fileio.
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2015-11-12
David van der...
Moved copyrite.* to fileio from gmxlib and legacyheaders.
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2015-11-11
David van der...
Moved inputrec.* from gmxlib and legacyheaders to mdtypes.
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2015-11-11
Mark Abraham
Merge release-5-0 into release-5-1
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2015-11-11
Berk Hess
Fixed (harmless) fp exception in wallcycle_sum
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2015-11-11
Teemu Murtola
Support inspecting expected error messages in tests
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2015-11-11
Teemu Murtola
Remove build system for boost
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2015-11-10
David van der...
Removed legacyheaders/typedefs.h
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2015-11-10
Teemu Murtola
Remove remaining boost dependencies
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2015-11-10
Mark Abraham
Bump patch version to prepare for 5.1.2
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2015-11-09
Berk Hess
Correct LINCS dHdl contribution
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2015-11-07
Teemu Murtola
Remove misc. copyrite.h functions
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2015-11-07
Teemu Murtola
Move gmx_omp_nthreads.h and gmx_thread_affinity.h to...
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2015-11-06
Teemu Murtola
Move PBC enums to pbc.*
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2015-11-06
Teemu Murtola
Move ns.h and nsgrid.h to mdlib/
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2015-11-06
Teemu Murtola
Move force.h and vsite.h into mdlib/
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2015-11-05
Teemu Murtola
Move types/rgb.h to fileio/
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2015-11-05
Mark Abraham
Move DD hashing to domdec module
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2015-11-05
Vedran Miletić
Update explanation of replica exchange output
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2015-11-05
Vedran Miletić
Document gmx_repl_ex struct
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2015-11-05
Mark Abraham
Handle another unused variable
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2015-11-05
Erik Lindahl
Avoid __vectorcall with clang for reference build
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2015-11-04
Teemu Murtola
Merge "Merge branch release-5-1"
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2015-11-04
Mark Abraham
Permit matrix build with RelWithDebInfo set
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2015-11-04
Mark Abraham
Merge branch release-5-1
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2015-11-04
Mark Abraham
Even less moving from unique_ptr
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2015-11-04
Mark Abraham
Version 5.1.1
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2015-11-04
Szilard Pall
Tweak NVML-related messages
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2015-11-04
Mark Abraham
Fix icc 16 issues
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2015-11-04
Mark Abraham
Stop moving from unique_ptr when copy elision works
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2015-11-03
Teemu Murtola
Update build scripts to match releng refactoring
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2015-11-03
David van der...
Moved df_history utility routines from typedefs to...
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2015-11-03
Mark Abraham
Quiet warnings with clang-3.7
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2015-11-03
Berk Hess
Fix no wallcycle support
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2015-11-03
Berk Hess
Removed nbnxn kernel blendv optimization
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2015-11-03
Mark Abraham
Merge branch release-5-1
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2015-11-03
James W. Barnett
Output replica exchange order description to debug
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2015-11-02
Berk Hess
Fix intermolecular interactions with small mols
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2015-11-02
Teemu Murtola
Replace boost::exception_ptr with std::exception_ptr
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2015-11-02
Erik Lindahl
Enable 64-bit cycle counters on ARMV7a
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2015-11-02
Szilard Pall
Fix signal type
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2015-11-02
Erik Lindahl
Split SIMD implementations into 4 files
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2015-11-02
Mark Abraham
Replace boost::shared_ptr with std::shared_ptr
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2015-11-02
Erik Lindahl
Moved GMX_SIMD_* macros from ifdefs to values 0/1
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2015-11-01
David van der...
Replaced NOTSET from typedefs.h by local solutions.
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2015-11-01
Szilard Pall
Fix bug in cycle subcounter management
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2015-11-01
Teemu Murtola
Remove remaining scoped_ptrs
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2015-11-01
Teemu Murtola
Remove more scoped_ptr uses
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2015-10-30
Erik Lindahl
Break dependence of group kernels on simd module
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2015-10-28
Mark Abraham
Use default alignment for OpenCL host buffer
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2015-10-28
Teemu Murtola
Remove unused TrajectoryAnalysisModule code
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2015-10-28
Mark Abraham
Separate wallcycle responsibilities
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2015-10-28
Mark Abraham
Suppress warnings when we have OpenCL 2.0 support
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2015-10-27
Teemu Murtola
Additional checks for selection input
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2015-10-26
Teemu Murtola
Remove some boost::scoped_ptr uses
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2015-10-25
Teemu Murtola
Fix missing help text for trajectory analysis tools
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2015-10-24
Szilard Pall
Avoid using incompatible NVML version
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2015-10-24
Teemu Murtola
Change some shared_ptrs back to unique_ptr
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2015-10-23
David van der...
Removed energyhistory code from typedefs to a separate...
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2015-10-23
Mark Abraham
Improve implementation of cycle subcounting
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2015-10-23
Erik Lindahl
Added AlignedAllocator class
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2015-10-22
Teemu Murtola
Additional normalization options for gmx rdf
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2015-10-22
Szilard Pall
Quiet FindNVML
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2015-10-22
Teemu Murtola
Use include_directories(SYSTEM ...) consistently
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2015-10-22
Erik Lindahl
Merge "Merge release-5-0 into release-5-1" into release-5-1
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2015-10-22
Teemu Murtola
Clean up and improve fatal error handling
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2015-10-19
Mark Abraham
Fix cycle subcounters
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2015-10-19
Teemu Murtola
Split EnumIntOption from StringOption
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2015-10-18
Justin Lemkul
Removed dihedrals from GLY .rtp entry.
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2015-10-18
David van der...
Moved pbc/cut-off related utilities from typedefs to...
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2015-10-16
Mark Abraham
Add Jenkins options matrix to source repo
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2015-10-15
David van der...
Freed memory in legacy statistics routines.
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2015-10-15
Szilárd Páll
Add CUDA nvcc >=7.0 support
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2015-10-15
Szilárd Páll
Correct CUDA version comparisons
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2015-10-15
Berk Hess
Fixed nbnxn_4xN performance regression
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2015-10-15
Szilard Pall
Fix reset error message
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2015-10-14
Mark Abraham
Merge release-5-0 into release-5-1
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2015-10-14
Mark Abraham
Version bumps after release
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