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Supported quiet trajectory-handling I/O
2017-09-05
Christoph Junghans
Supported quiet trajectory-handling I/O
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2017-09-05
Mark Abraham
Fixes for Solaris
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2017-09-03
Mark Abraham
Fix compiler flags for using MKL
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-25
Mark Abraham
Fix flat-bottomed position restraints with multiple...
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2017-08-21
Mark Abraham
Fix compilation issues with ARM SIMD
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2017-08-18
Vedran Miletić
Improve the "files not present" error message
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2017-08-15
David van der Spoel
Worked around missing OpenMP implementation in orires.
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-15
Jiri Kraus
CUDA 9/Volta support for the nonbonded module
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2017-08-15
Mark Abraham
Fix value of Ewald shift
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2017-08-06
Mark Abraham
Removed unused host-side allocation code
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2017-08-03
Berk Hess
Add check for nr of orientation restraints
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2017-08-03
Berk Hess
Fix bugs with orientation restraints
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2017-08-03
Carsten Kutzner
Added missing .mdp file documentation for the enforced...
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2017-06-28
Mark Abraham
Fix specification for gcc-6
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2017-06-27
Mark Abraham
Minor improvements to test configs
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2017-06-12
Berk Hess
Disable PME tuning with the group scheme
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2017-05-29
Vedran Miletić
Standardize use of |Gromacs| in reST docs
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2017-05-26
Mark Abraham
Test invsixthroot function as intended
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2017-05-15
Mark Abraham
Updated use of gcc-5 specifiers
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2017-05-14
Justin Lemkul
Clarifications to editconf help text.
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2017-05-09
Mark Abraham
Fix formatting of MKL cmake docs
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2017-04-19
Berk Hess
Fix unused SIMD PME table kernel
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2017-04-17
Mark Abraham
Propose a post-submit matrix
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2017-03-22
Mark Abraham
Add section to user guide for managing simulations
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2017-03-14
Mark Abraham
Bumped version to prepare for next patch release
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2017-03-13
Mark Abraham
Version 2016.3
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2017-03-13
Ake Sandgren
Fix tune_pme detection of GPU support
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2017-03-13
Ake Sandgren
Fix spacing in tune_pme call to thread-mpi mdrun
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2017-03-09
Szilárd Páll
Fix mdrun hanging upon exit with sep PME ranks
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2017-03-07
Mark Abraham
Fix minor issues in gmx traj -av -af
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2017-03-04
David van der Spoel
Removes rogue printing to xvg file in gmx mindist
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2017-03-04
Mark Abraham
Fixes for xl compilers 13.1.5 on Power8
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-10
Mark Abraham
Corrected output of gmx do_dssp -sc
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2017-02-07
Vedran Miletić
Document running Clang static analyzer manually
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2017-02-07
Mark Abraham
Bumped version to prepare for next patch release
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2017-02-07
Mark Abraham
Version 2016.2
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2017-02-07
Berk Hess
Add mdp option check with decoupled modes
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-22
Mark Abraham
Fixed gmx rmsf -q -oq.
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2017-01-20
Berk Hess
Disallow overwriting of dihedral type 9
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2017-01-04
Mark Abraham
Stop trying to use objdump --reloc on Mac
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2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-12-20
Mark Abraham
Corrected documentation about eigenvalue handling
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2016-12-10
Teemu Murtola
Build scripts for improved release workflow
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2016-12-09
Szilárd Páll
Turn off hwloc support when static lib found
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2016-12-08
Teemu Murtola
Fix possible memory error with long selections
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2016-12-07
Teemu Murtola
Fix use of position variables with plus/merge
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2016-12-07
Mark Abraham
Fix memory handling in gmx dump of TNG files
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2016-12-05
Mark Abraham
Remove undue narrowing of integer in TNG reading
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2016-12-01
Mark Abraham
Fix minor trjconv bug
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2016-11-16
Carsten Kutzner
Increased the default reset step to 1500 in gmx tune_pme
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2016-11-08
Dan Horák
Fix x86 conditional
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2016-10-28
Mark Abraham
Bumped version to prepare for next patch release
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2016-10-28
Mark Abraham
Version 2016.1
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2016-10-28
Berk Hess
DLB can now turn off, when slower
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2016-10-28
Szilárd Páll
GPU-related additions to the install/user guide
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2016-10-28
Berk Hess
Fix DLB timing with CUDA and OpenCL
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2016-10-27
Szilárd Páll
Make -cl-fast-relaxed-math default
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2016-10-21
Mark Abraham
Update install guide
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2016-10-18
Mark Abraham
Fix SIMD suggestion for VMX
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2016-10-12
Berk Hess
Fixed print bug in gmx wham
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2016-10-11
James W. Barnett
fix typo
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2016-10-07
Mark Abraham
Add script for Jenkins regressiontest update job
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2016-10-06
Carlo Camilloni
Always update mdatoms when doing energy minimisation
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-10-03
Mark Abraham
Replace use of deprecated readdir_r
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2016-09-28
Jochen Hub
Fixed bug in gmx wham for reading pullx files.
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2016-09-27
David van der Spoel
Fixed script xplor2gmx.pl to work with GMXDATA
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2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-08
Mark Abraham
Bumped patch number to prepare for future 5.1.5 release
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2016-09-07
Mark Abraham
Version 5.1.4
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2016-09-07
Mark Abraham
Removed HIS1 from oplsaa and charmm definitions
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2016-09-06
Mark Abraham
Work around glibc 2.23 with CUDA
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2016-09-02
Berk Hess
Fix Parrinello-Rahman with nstpcouple>1
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2016-08-30
Berk Hess
Make virial reproducible
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2016-08-15
Mark Abraham
Fixes for BG/Q platform files and install guide
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2016-08-15
Berk Hess
Reduce FE pair-list memory usage
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2016-08-12
Mark Abraham
Bump number to prepare for first patch release
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2016-08-04
Mark Abraham
Version 2016
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2016-08-03
David van der Spoel
Three new quotes.
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2016-08-03
Vedran Miletić
Use only legal characters in OpenCL cache filename
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2016-07-29
Mark Abraham
Improve handling of gmock and gcc6
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2016-07-29
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-07-29
David van der Spoel
Fixes incorrect charges in OPLS/AA-L for HISD and HISE
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2016-07-28
Mark Abraham
Add toolchain flags for SSE2 compilation
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2016-07-21
Mark Abraham
Bumped patch number to prepare for future 5.1.4 release
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2016-07-14
Mark Abraham
Fix issues with using int for number of steps
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2016-07-13
Mark Abraham
Version 5.1.3
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2016-07-12
Mark Abraham
Fix trr magic number reading
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2016-07-11
Mark Abraham
Fix gmx mdrun -membed -ntmpi -1
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2016-07-11
Erik Lindahl
Fix membed with partial revert of 29943f
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2016-07-11
Michael Shirts
Fix for incorrectly setting expanded ensemble when...
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2016-07-11
Mark Abraham
Fix regressiontest download md5sum
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2016-07-09
Mark Abraham
First 2016 release candidate
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2016-07-09
Erik Lindahl
Hardware detection clean-up and pre/post-processing
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2016-07-08
Jochen Hub
Updated g_wham for the new pull setup
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