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Update versioning for new scheme
2015-12-19
Teemu Murtola
Update versioning for new scheme
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2015-12-16
Teemu Murtola
Move calcgrid.* to fft/
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2015-12-15
Teemu Murtola
Move gpu_utils etc. out of gmxlib
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2015-12-13
Szilard Pall
OpenCL code cleanup
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2015-12-12
Teemu Murtola
Create separate module for trajectory data
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2015-12-12
Berk Hess
Removed unused mdrun option -dn
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2015-12-12
Mark Abraham
Broke up copyright.*
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2015-12-11
Teemu Murtola
Merge "Merge branch 'origin/release-5-1'"
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2015-12-09
Robert McGibbon
Implement parse_digits_from_csv_string
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2015-12-09
Mark Abraham
Update use of preprocessor in managing GPU support
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2015-12-08
Roland Schulz
Remove old MSVC references
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2015-12-07
Berk Hess
Moved pull params to mdtypes/pull-params.h
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2015-12-02
Teemu Murtola
Split filenm.*
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2015-12-02
Berk Hess
Refactored set_pbc_dd
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2015-12-01
Erik Lindahl
Fixed null-dereferencing bug in vsites
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2015-11-30
Magnus Lundborg
Fixed typos in output.
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2015-11-30
Erik Lindahl
C++ classes for cpuid and hardware topology
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2015-11-30
Teemu Murtola
Clean up some selection code
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2015-11-23
Teemu Murtola
Move precision detection symbols to baseversion.*
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2015-11-22
Mark Abraham
Fix generic group-scheme kernel table dereferencing
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2015-11-21
David van der Spoel
Merged genborn.h from legacyheaders/types into mdlib...
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2015-11-20
Mark Abraham
Remove ewcWAIT_GPU_NB_L_EST
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2015-11-20
David van der Spoel
Moved legacyheaders/types/energy.h to mdtypes.
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2015-11-19
Mark Abraham
Simplified init and mdrun code
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2015-11-16
Mark Abraham
Fix use of #if vs #ifdef
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2015-11-16
Mark Abraham
Fix AlignedAllocator with MSVC2015 debug mode
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2015-11-16
Erik Lindahl
Remove unused code detected by PGI compiler
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2015-11-16
Mark Abraham
Remove "support" for twin-range with VV integrators
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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 Spoel
Merged legacyheaders/types/inputrec.h into mdtypes...
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2015-11-15
Teemu Murtola
Fix reporting of unused cycle suppressions
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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
Teemu Murtola
Move gmx_ga2la.h to domdec/
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2015-11-13
David van der Spoel
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 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
Teemu Murtola
Report unused cycle suppressions
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2015-11-11
David van der Spoel
Moved inputrec.* from gmxlib and legacyheaders to mdtypes.
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2015-11-11
Teemu Murtola
Remove build system for boost
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2015-11-10
David van der Spoel
Removed legacyheaders/typedefs.h
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2015-11-10
Teemu Murtola
Remove remaining boost dependencies
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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
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
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 Spoel
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
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 Spoel
Replaced NOTSET from typedefs.h by local solutions.
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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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2015-10-25
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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2015-10-23
David van der Spoel
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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2015-10-16
Mark Abraham
Add Jenkins options matrix to source repo
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2015-10-15
Szilárd Páll
Correct CUDA version comparisons
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2015-10-14
Erik Lindahl
Another quote from Economist today
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2015-10-14
Alfredo Metere
Fixed segfault in genconf utility
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2015-10-13
Erik Lindahl
Moved nonbonded sources to C++
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2015-10-13
Erik Lindahl
Moved last nbnxn_kernel sources to C++
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2015-10-13
Teemu Murtola
Improve documentation and tests for refdata
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2015-10-12
Michael Shirts
Fix for lack of COM removal for md-vv
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2015-10-12
James W. Barnett
gmx wham: Use macros for units and conversions.
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2015-10-12
Teemu Murtola
Hide implementation details from cmdlinerunner.h
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2015-10-12
Carsten Kutzner
Described the computational electrophysiology .mdp...
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2015-10-12
Teemu Murtola
Improve gmx sasa tests and clean up -or handling
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2015-10-11
James W. Barnett
User guide: Update spelling, add some internal refs
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2015-10-11
Teemu Murtola
Remove obsolete build scripts
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2015-10-09
Mark Abraham
Remove CGLO_RERUNMD
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2015-10-08
Teemu Murtola
Remove unused error handling code
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2015-10-07
Carsten Kutzner
Extra options for computational electrophysiology.
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