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Update advice about grompp -t
2015-07-19
Mark Abraham
Update advice about grompp -t
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2015-07-08
Mark Abraham
Give bTypePerturbed a valid initial value
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2015-07-08
Mark Abraham
Fix grompp .edr IO estimate for free-energy calcs
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2015-06-29
Mark Abraham
Merge release-4-6 into release-5-0
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2015-06-26
Mark Abraham
Merge release-4-6 into release-5-0
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2015-06-26
Mark Abraham
Fix mdrun -confout sometimes affecting final .edr frame
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2015-06-24
Mark Abraham
Merge release-4-6 into release-5-0
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2015-06-16
Mark Abraham
Stop people installing into the build tree
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2015-06-16
Mark Abraham
Fix pairs_nb not recognized as part of moleculetype
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2015-06-11
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
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2015-06-09
Mark Abraham
Document limitations of trjconv -dump
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2015-06-09
Mark Abraham
Merge branch release-4-6 into release-5-0
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2015-05-26
Mark Abraham
Fix use of hard-coded temporary filename
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2015-05-23
Mark Abraham
Fix misuse of gmx_simd_check_and_reset_overflow
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2015-05-16
Mark Abraham
Suppress GCC5 warnings with internal Boost
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2015-05-14
Mark Abraham
Fix own-FFTW build
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2015-05-13
Mark Abraham
Version bumps after new release
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2015-05-13
Mark Abraham
Version 5.0.5
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2015-05-12
Mark Abraham
Fix uninitialized fields in grompp t_state
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2015-05-11
Mark Abraham
Work around gcc 5 warnings with Google Test
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2015-05-06
Mark Abraham
Fixed recently-introduced couple-lambda warning message
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2015-05-06
Mark Abraham
Fix SIMD unit tests on BG/Q
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2015-05-05
Mark Abraham
Merge release-4-6 into release-5-0
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2015-03-19
Mark Abraham
Made error message more generic
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2015-03-05
Mark Abraham
Fix Andersen thermostats
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2015-02-02
Mark Abraham
Avoid near-silent generation of zero energies
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2015-02-02
Mark Abraham
Fix use of simd.h
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2015-01-23
Mark Abraham
Update FindCUDA work-around
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2015-01-16
Mark Abraham
Fix BlueGene/Q build with recent CMake
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2015-01-14
Mark Abraham
Fix and suppress warnings on BlueGene/Q
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2015-01-08
Mark Abraham
Handle ivec* correctly in DD error message
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2014-12-15
Mark Abraham
Version bumps after new release
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2014-12-15
Mark Abraham
Version 5.0.4
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2014-12-15
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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2014-12-11
Mark Abraham
Merge release-4-6 into release-5-0
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2014-12-09
Mark Abraham
Version bumps after new release
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2014-12-09
Mark Abraham
Version 5.0.3
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2014-12-08
Mark Abraham
Fix group-scheme bug with changing LJ parameters in FE
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2014-11-27
Mark Abraham
Remove use of interaction_mask_indices on BG/Q
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2014-11-27
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-10-17
Mark Abraham
Extend gmock to turn off socket listener
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2014-10-13
Mark Abraham
Merge release-4-6 into release-5-0
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2014-10-06
Mark Abraham
Fix trjconv -split not closing files
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2014-10-01
Mark Abraham
Version bumps after new release
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2014-10-01
Mark Abraham
Version 5.0.2
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2014-09-29
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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2014-09-18
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-09-11
Mark Abraham
Remove documentation references to optimize-fft
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2014-09-05
Mark Abraham
Version bumps after new release
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2014-09-05
Mark Abraham
Version 5.0.1
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2014-09-03
Mark Abraham
Fix mis-use of fabs in LAPACK
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2014-09-03
Mark Abraham
More hacking to get the template to detect and build
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2014-09-01
Mark Abraham
Fix and document issues with template.cpp
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2014-09-01
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
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2014-09-01
Mark Abraham
Fixes and updates to BlueGene/Q support
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2014-09-01
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-09-01
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
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2014-08-29
Mark Abraham
Version bump after 4.6.7
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2014-08-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-08-23
Mark Abraham
Generalize markdown configuration machinery
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2014-08-23
Mark Abraham
Unify documentation for webpage build
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2014-08-22
Mark Abraham
Fix zlib usage with TNG
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2014-08-16
Mark Abraham
Fix gmx tune_pme with LJ-PME
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2014-08-16
Mark Abraham
Fix wallcycle counting with md-vv, sd and sd2
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2014-07-09
Mark Abraham
Name the tarball how we like it
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2014-07-09
Mark Abraham
Quieten repeated cmake runs
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2014-07-07
Mark Abraham
Fix tarball and install, particularly for INSTALL
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2014-07-07
Mark Abraham
Version bump after 4.6.6 release
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2014-07-01
Mark Abraham
Fix GMock to work on MSVC
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2014-06-29
Mark Abraham
Version bump for 5.0
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2014-06-29
Mark Abraham
Add forgotten licenses to COPYING
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2014-06-29
Mark Abraham
Refer to "mixed" precision in user-facing documentation
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2014-06-29
Mark Abraham
Convert install guide to markdown
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2014-06-29
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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2014-06-28
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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2014-06-28
Mark Abraham
Use parallel terminology more consistently
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2014-06-26
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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2014-06-24
Mark Abraham
Manual fixes
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2014-06-18
Mark Abraham
Made mdrun warn when generic kernels are used
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2014-06-06
Mark Abraham
Merge release-4-6 into release-5-0
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2014-06-05
Mark Abraham
New quotes
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2014-06-03
Mark Abraham
Use RNG correctly for v-rescale thermostat
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2014-05-30
Mark Abraham
Finalize change from GMX_CPU_ACCELERATION to GMX_SIMD
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2014-05-22
Mark Abraham
Add fatal errors for VV and twin-range MTS
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2014-05-22
Mark Abraham
Clarified docs for use of mdrun -nstlist
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2014-05-20
Mark Abraham
Fix copyright years for new code
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2014-05-20
Mark Abraham
Add note about correct calling of wallcycle counter
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2014-05-18
Mark Abraham
Fix indenting of .tpr parameter dump in mdrun log file
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2014-05-13
Mark Abraham
Prohibit AVX_256 with buggy gcc 4.6.1
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2014-04-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-04-16
Mark Abraham
Fix and simplify version matching for running tests
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2014-04-10
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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2014-04-10
Mark Abraham
Further fix to gmx tune-pme
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2014-04-07
Mark Abraham
Fix invalid dereference in g_tune_pme
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2014-04-07
Mark Abraham
Version bump for 5.0-rc1
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2014-04-03
Mark Abraham
Move string-parsing code to where it can be reused
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2014-04-02
Mark Abraham
Fixes for g_tune_pme for 5.0
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2014-04-02
Mark Abraham
Fix bug accumulating nrank_pp_intranode on PME ranks
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2014-04-02
Mark Abraham
Re-use gmx_greatest_common_divisor()
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2014-03-31
Mark Abraham
Remove quote
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