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Cleaned up high-level boolean variable naming
2017-06-28
Mark Abraham
Cleaned up high-level boolean variable naming
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2017-06-28
Mark Abraham
Merge branch release-2016
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2017-06-27
Mark Abraham
Minor improvements to test configs
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2017-06-22
Mark Abraham
Consolidated logic for choosing number of thread-MPI...
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2017-06-22
Mark Abraham
Replace misnamed nbnxn_gpu_acceleration_supported
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2017-06-22
Mark Abraham
Consolidate and fix logic for mdrun -nb and -gpuid
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2017-06-21
Mark Abraham
Reform ngpu variable
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2017-06-21
Mark Abraham
Remove bUserSetGpuIds field
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2017-06-14
Mark Abraham
Simplify reporting from init_gpu
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2017-06-12
Mark Abraham
Move gmx_parse_gpu_id out of checking function
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2017-05-31
Mark Abraham
New quote
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2017-05-30
Mark Abraham
Fix NVML error messages
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2017-05-27
Mark Abraham
Quotes from Gottingen workshop
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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 compiler specifiers in testing
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2017-05-15
Mark Abraham
Updated use of gcc-5 specifiers
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2017-05-15
Mark Abraham
Update clang static analyzer slave to use version 4
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2017-05-14
Mark Abraham
Update clang-4
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2017-05-09
Mark Abraham
Fix formatting of MKL cmake docs
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2017-05-09
Mark Abraham
Merge branch release-2016
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2017-05-09
Mark Abraham
Cleaned up memory usage in gmx traj and trjconv
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2017-04-22
Mark Abraham
Clean up memory usage with oenv and xvg writing
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2017-04-17
Mark Abraham
Minor change to GPU compatibility reporting handling
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2017-04-17
Mark Abraham
Propose a post-submit matrix
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2017-04-03
Mark Abraham
Remove do_pbc_first
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2017-03-31
Mark Abraham
Merge branch release-2016
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2017-03-29
Mark Abraham
Fix parameter description for dihedral_restraints
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2017-03-22
Mark Abraham
Add section to user guide for managing simulations
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2017-03-19
Mark Abraham
Fix string handling for gcc 7
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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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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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