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Refactor mdrun integration tests
2014-09-23
Mark Abraham
Refactor mdrun integration tests
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2014-09-22
Mark Abraham
More quotes
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2014-09-18
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-09-13
Mark Abraham
Teach git that some files are binary
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2014-09-12
Mark Abraham
Minor changes to mdrun -h descriptions
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2014-09-11
Mark Abraham
Remove documentation references to optimize-fft
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2014-09-11
Mark Abraham
Convert domdec code to C++
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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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2014-09-04
Mark Abraham
Created bonded module
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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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2014-08-21
Mark Abraham
Fix mis-use of fabs in LAPACK
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2014-08-17
Mark Abraham
Remove mdrun -seppot
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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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2014-08-11
Mark Abraham
Add depressing quote
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2014-07-29
Mark Abraham
Converted md_support.c to C++
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2014-07-16
Mark Abraham
Quiet gcc-4.8 warnings about unused results
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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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2014-07-08
Mark Abraham
Remove bOK from MD loop
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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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2014-06-24
Mark Abraham
Converted runner.c to C++
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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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2014-06-05
Mark Abraham
Merge "Merge release-5-0 into master"
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2014-06-03
Mark Abraham
Use RNG correctly for v-rescale thermostat
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2014-06-03
Mark Abraham
Convert repl_ex.c to C++
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2014-06-02
Mark Abraham
Converted md.c to C++
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2014-05-30
Mark Abraham
Finalize change from GMX_CPU_ACCELERATION to GMX_SIMD
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2014-05-24
Mark Abraham
Move tools code to where it is used
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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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2014-05-22
Mark Abraham
Refactor string handling for GPU usage report
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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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2014-05-19
Mark Abraham
Convert gmx_detect_hardware.c to C++
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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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2014-04-17
Mark Abraham
Merge "Merge release-5-0 into master"
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2014-04-16
Mark Abraham
Fix and simplify version matching for running tests
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2014-04-15
Mark Abraham
Beer + table soccer = quote!
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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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2014-03-26
Mark Abraham
Fix use of inline in IMD
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2014-03-23
Mark Abraham
Keep CMake quiet about non-detection of optional stuff
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2014-03-23
Mark Abraham
Merge branch release-4-6
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2014-03-23
Mark Abraham
Fix print_date_and_time
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2014-03-18
Mark Abraham
Revert "Added new amber99sb-ildn-bsc0 force field."
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2014-03-18
Mark Abraham
Removed more stuff related to gmx.ff and gmx2.ff
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2014-03-17
Mark Abraham
House-keeping for MTTK
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2014-03-17
Mark Abraham
Merge "Merge branch release-4-6"
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2014-03-17
Mark Abraham
Merge branch release-4-6
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2014-03-17
Mark Abraham
Fix perturbation to Verlet scheme when not perturbing
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2014-03-11
Mark Abraham
Fix MKL linking
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2014-03-11
Mark Abraham
Avoid array-bounds warnings with gcc 4.8.2
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2014-03-10
Mark Abraham
Fix dependency on swapcoords enums
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2014-03-06
Mark Abraham
Fix formatting in install guide
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2014-03-06
Mark Abraham
Fix CMake syntax error
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2014-03-05
Mark Abraham
Merge "Merge release-4-6 into master"
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2014-03-04
Mark Abraham
Add enum and docs for using tpx_version
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2014-03-03
Mark Abraham
Fix calling SIMD group kernels
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2014-03-01
Mark Abraham
Add fatal error for Andersen+constraints+DD
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2014-02-26
Mark Abraham
Add ThreadSanitizer build type
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2014-02-25
Mark Abraham
Keep compilers happy on BG/Q
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2014-02-24
Mark Abraham
Clean up options for domain decomposition
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2014-02-24
Mark Abraham
Permit warning-free use of Andersen thermostat
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2014-02-24
Mark Abraham
Suppress icc warning for Boost 1.55 use of #pragma...
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2014-02-21
Mark Abraham
Reinstate shell code with DD
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