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Merge branch release-2016
2017-03-14
Mark Abraham
Merge branch release-2016
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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
Mark Abraham
Modernize write_inpfile
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2017-03-13
Mark Abraham
Modernize read_inpfile
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2017-03-13
Mark Abraham
Tests for grompp -f -po
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2017-03-09
Mark Abraham
Refactor GPU selection handling
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2017-03-07
Mark Abraham
Fix minor issues in gmx traj -av -af
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2017-03-04
Mark Abraham
Fixes for xl compilers 13.1.5 on Power8
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2017-02-20
Mark Abraham
Add tests for old gmx energy functionality
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2017-02-17
Mark Abraham
Use gmx::Mutex and gmx::lock_guard to fix some issues
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-14
Mark Abraham
Fix handling of previous virials
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2017-02-14
Mark Abraham
Reduce compilation coupling
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2017-02-10
Mark Abraham
Corrected output of gmx do_dssp -sc
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2017-02-09
Mark Abraham
Complete the removal of stateful RNG
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2017-02-09
Mark Abraham
Improved state_change_natoms and used it more
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2017-02-09
Mark Abraham
Remove EST_DISTR from state.h
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2017-02-09
Mark Abraham
Enhance warninp
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2017-02-08
Mark Abraham
Extend serialization to gmx_int64_t
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2017-02-08
Mark Abraham
Remove docs for unimplemented trjconv -clustercenter
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2017-02-08
Mark Abraham
Create applied-forces module group
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2017-02-08
Mark Abraham
Give MDModules responsibility for option handling
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2017-02-07
Mark Abraham
Merge branch release-2016
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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
Introduced system preparation section to user guide
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2017-02-07
Mark Abraham
Version 2016.2
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-03
Mark Abraham
Remove typedef struct in some mdtypes files
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2017-02-02
Mark Abraham
Clarify use of tau-p and pcoupltype
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-30
Mark Abraham
Fix multi-domain reruns
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2017-01-30
Mark Abraham
Don't print invalid performance data
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2017-01-23
Mark Abraham
Stopped header files including state.h
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2017-01-22
Mark Abraham
Fixed gmx rmsf -q -oq.
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2017-01-21
Mark Abraham
Removed init_state
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2017-01-20
Mark Abraham
Initialize GMX_*_LIBRARIES cmake variables earlier
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2017-01-14
Mark Abraham
Merge branch release-2016
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2017-01-06
Mark Abraham
Document ISerializer class
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2017-01-04
Mark Abraham
Stop trying to use objdump --reloc on Mac
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2017-01-04
Mark Abraham
Fix documentation of OptionsVisitor
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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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2016-12-20
Mark Abraham
Improve build system for plugin support
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2016-12-20
Mark Abraham
Sanitize some include headers
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2016-12-20
Mark Abraham
Merge branch release-2016
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2016-12-15
Mark Abraham
Removed support for multiple entries in mdp files
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2016-12-15
Mark Abraham
Handle warninp correctly in xpm2ps and membed
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2016-12-14
Mark Abraham
Fix misleading parallelization docs for gmx wham
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2016-12-09
Mark Abraham
Fix logic of TRR reading
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2016-12-09
Mark Abraham
Remove nxframe from t_trxstatus
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2016-12-08
Mark Abraham
Consolidate files supporting TNG file I/O
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2016-12-07
Mark Abraham
Merge branch release-2016
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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
Add INSTALL-dev to aid people doing unusual builds
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2016-12-01
Mark Abraham
Fix minor trjconv bug
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2016-11-23
Mark Abraham
Stop including tng_io_fwd.h
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2016-11-16
Mark Abraham
Enhanced ArrayRef
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2016-11-16
Mark Abraham
Created paddedvector.h
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2016-11-16
Mark Abraham
Remove unimplemented gmx trjcat -vel
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2016-10-31
Mark Abraham
Merge branch release-2016
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2016-10-31
Mark Abraham
Merge branch release-2016
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commitdiff
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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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2016-10-21
Mark Abraham
Update install guide
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2016-10-21
Mark Abraham
Update cppcheck support to 1.76.1
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2016-10-19
Mark Abraham
Upgrade coverage matrix.
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2016-10-18
Mark Abraham
Fix SIMD suggestion for VMX
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2016-10-12
Mark Abraham
Make regressiontests updater build work for master...
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2016-10-11
Mark Abraham
Update for FFTW 3.3.5
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2016-10-10
Mark Abraham
Merge "Merge branch release-2016"
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2016-10-09
Mark Abraham
Merge branch release-2016
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2016-10-07
Mark Abraham
Add script for Jenkins regressiontest update job
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commitdiff
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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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2016-09-12
Mark Abraham
Preliminary clean up of NVML code
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commitdiff
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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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2016-09-07
Mark Abraham
Fix LYN charges in amber03
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2016-09-07
Mark Abraham
Fix amber03 HIP charges
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2016-09-06
Mark Abraham
Work around glibc 2.23 with CUDA
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2016-08-27
Mark Abraham
Stop using gmx_fatal in grompp
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2016-08-24
Mark Abraham
Remove hacks for outdated BlueGene support
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commitdiff
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2016-08-15
Mark Abraham
Merge branch release-2016
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2016-08-15
Mark Abraham
Fixes for BG/Q platform files and install guide
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commitdiff
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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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2016-07-29
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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2016-07-28
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
Merge branch release-2016
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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
Mark Abraham
Fix regressiontest download md5sum
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