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Merge branch release-5-1
2016-04-27
Mark Abraham
Merge branch release-5-1
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2016-04-19
Mark Abraham
Replace libxml2 with tinyxml2 for use in test code
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2016-04-19
Mark Abraham
Fix parse_digits_from_string
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2016-04-19
Mark Abraham
Fix mdp label generation
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2016-04-18
Mark Abraham
Reduce compilation coupling of SIMD module
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2016-04-14
Mark Abraham
Merge branch release-5-1
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2016-04-01
Mark Abraham
Revert to treating -1 as "generate a seed" in .mdp
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2016-03-31
Mark Abraham
Add test and improved docs for custom checkSequence
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2016-03-30
Mark Abraham
Clean up vsite code
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2016-03-19
Mark Abraham
Add more const correctness
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2016-03-19
Mark Abraham
Fix warning from GCC 6
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2016-03-19
Mark Abraham
Improved some mdrun integration tests
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2016-03-18
Mark Abraham
Warn about OpenMPI 1.8.6
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2016-03-18
Mark Abraham
Fix typo in Fourier dihedral equation
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2016-03-15
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-03-12
Mark Abraham
Update use of isnan in linearalgebra
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2016-03-12
Mark Abraham
Find hwloc quietly if it's already been found
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2016-03-11
Mark Abraham
Add infrastructure for tests to compare mdruns
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2016-03-11
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-03-10
Mark Abraham
Require 2015 version for MSVC
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2016-03-05
Mark Abraham
Add SETTLE unit tests
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2016-02-26
Mark Abraham
Separated test of CDATA end tag handling from others
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2016-02-23
Mark Abraham
Replace cppcheck suppression in checkpoint code
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2016-02-22
Mark Abraham
Move init of specialized dynamical algorithms to do_md
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2016-02-21
Mark Abraham
Separate table construction
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2016-02-19
Mark Abraham
Merge branch release-5-1
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2016-02-19
Mark Abraham
Make both ftp and http links for source download
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2016-02-18
Mark Abraham
Updated reference manual text about PME tuning
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2016-02-16
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-02-14
Mark Abraham
Re-generated eps for figure 4.8
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2016-02-10
Mark Abraham
Re-remove *_stochd_state function declarations
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2016-02-10
Mark Abraham
Improved update_coords handling of xprime
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2016-02-10
Mark Abraham
Fix issues to update cppcheck support to 1.72
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2016-02-08
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-02-06
Mark Abraham
Merge branch release-5-1
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2016-02-03
Mark Abraham
Bumped patch number to prepare for future 5.1.3 release
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2016-02-03
Mark Abraham
Version 5.1.2
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2016-02-03
Mark Abraham
Fix grompp not warning when .mdp values have wrong...
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2016-02-03
Mark Abraham
Merge release-5-0 into release-5-1
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2016-02-03
Mark Abraham
Fix dEkin/dl handling with multiple ranks
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2016-01-28
Mark Abraham
Merge branch release-5-1
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2016-01-28
Mark Abraham
Fix use of __APPLE__ in OpenCL code
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2016-01-28
Mark Abraham
Add OpenCL source file types to copyright checker
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2016-01-28
Mark Abraham
Avoid FP exception
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2016-01-27
Mark Abraham
Merge branch release-5-1
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2016-01-27
Mark Abraham
Remove bNotLastFrame
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2016-01-27
Mark Abraham
Add suggestions for updating binutils
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2016-01-26
Mark Abraham
Fix default for GMX_USE_NVML
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2016-01-25
Mark Abraham
Merge branch release-5-1
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2016-01-24
Mark Abraham
Fix duplicate LaTeX equation label
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2016-01-24
Mark Abraham
Update references to HTML and online documentation
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2016-01-14
Mark Abraham
Permit customized testing of grompp and mdrun
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2016-01-13
Mark Abraham
Allowed NVML support to be toggled
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2016-01-12
Mark Abraham
Merge branch release-5-0 into release-5-1
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2016-01-11
Mark Abraham
Improved update_coords
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2016-01-08
Mark Abraham
Improve tpr header version handling
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2016-01-08
Mark Abraham
Merge branch release-5-1
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2016-01-07
Mark Abraham
Fix some mdrun header dependencies
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2016-01-07
Mark Abraham
Avoid more C++ bindings for MPI
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2016-01-07
Mark Abraham
Document how potential-switch works
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2016-01-07
Mark Abraham
Stop using UNDEFINED as name of a symbol
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2016-01-07
Mark Abraham
Remove fields used only for SD2
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2016-01-07
Mark Abraham
Backport md-vv fixes
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2016-01-07
Mark Abraham
Remove SD2 integrator
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2016-01-06
Mark Abraham
Fix spurious gcc warning
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2016-01-05
Mark Abraham
Fix logic for DD missing-interactions check
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2016-01-05
Mark Abraham
Use EXPECT_TRUE and EXPECT_FALSE in new SIMD tests
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2016-01-04
Mark Abraham
Change GMX_DOUBLE to be always defined
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2015-12-28
Mark Abraham
Create invertmatrix.h
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2015-12-28
Mark Abraham
Merge branch release-5-1
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2015-12-27
Mark Abraham
Fix some OpenCL issues
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2015-12-24
Mark Abraham
Moved responsibility for f_global
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2015-12-24
Mark Abraham
Shell code cleanup
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2015-12-17
Mark Abraham
Simplified energy-summation code
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2015-12-12
Mark Abraham
Broke up copyright.*
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2015-12-12
Mark Abraham
Require Nose-Hoover with MTTK
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2015-12-11
Mark Abraham
Stop global communication depending on integrator
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2015-12-10
Mark Abraham
Merge branch 'origin/release-5-1'
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2015-12-09
Mark Abraham
Update use of preprocessor in managing GPU support
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2015-12-08
Mark Abraham
Merge branch 'release-5-0' into release-5-1
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2015-12-08
Mark Abraham
Fix Trotter integration
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2015-12-03
Mark Abraham
Remove mdrun -compact
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2015-12-02
Mark Abraham
Remove twin-range scheme
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2015-11-30
Mark Abraham
Refactor hardware information management
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2015-11-25
Mark Abraham
Fix logic of dd_print_missing_interactions exit
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2015-11-24
Mark Abraham
Fix error in multi-sim communication
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2015-11-23
Mark Abraham
Update and expand pre-submit commit matrix
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2015-11-22
Mark Abraham
Fix generic group-scheme kernel table dereferencing
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2015-11-20
Mark Abraham
Split wallcycle interface
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2015-11-20
Mark Abraham
Remove ewcWAIT_GPU_NB_L_EST
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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
Remove t_adress
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2015-11-16
Mark Abraham
Fix AlignedAllocator with MSVC2015 debug mode
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2015-11-16
Mark Abraham
Removed state_global from mdrun energy-summation
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2015-11-16
Mark Abraham
Remove "support" for twin-range with VV integrators
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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
Mark Abraham
Move responsibility for FFT description string
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2015-11-14
Mark Abraham
Moved all cool stuff to its own file
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