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Merge branch release-4-6 into release-5-0
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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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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2014-02-20
Mark Abraham
Remove particle decomposition
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2014-02-20
Mark Abraham
avoid mdrun crash when rdtscp is not supported
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2014-02-20
Mark Abraham
Add integration tests for replica exchange
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2014-02-19
Mark Abraham
Make some variable names less cryptic
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2014-02-18
Mark Abraham
Fix outstanding references to "CPU acceleration"
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2014-02-18
Mark Abraham
Fix harmless bug with combination of group and twin...
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2014-02-18
Mark Abraham
Extend TestFileManager
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2014-02-16
Mark Abraham
Fix test reference data accidentally broken
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2014-02-16
Mark Abraham
Remove support for .g87 and .xyz I/O formats
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2014-02-12
Mark Abraham
Refactored 'solvate' and 'insert-molecules'
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2014-02-12
Mark Abraham
Re-fix compiler warnings with scanner.cpp
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2014-02-11
Mark Abraham
Split genbox into 'solvate' and 'insert-molecules'
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2014-02-11
Mark Abraham
Update stuff for old BlueGene
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2014-02-09
Mark Abraham
Move orientation restraints checks inside init function
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2014-02-08
Mark Abraham
Clean up .log file dump of inputrec
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2014-02-08
Mark Abraham
Issue fatal errors rather than use broken shell code
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2014-02-07
Mark Abraham
Initialize inputrec better in genbox
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2014-02-06
Mark Abraham
Remove antiquated and unused gmxpar.tex documentation
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2014-02-05
Mark Abraham
Update description of genrestr
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2014-02-04
Mark Abraham
Use feature to explain that tpbconv has moved
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2014-02-03
Mark Abraham
Add hack to fix genbox
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2014-02-03
Mark Abraham
Clean up genbox and associated code
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2014-02-03
Mark Abraham
Improved wallcycle reporting
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2014-01-30
Mark Abraham
Minor improvements to ewald_LRcorrection
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2014-01-29
Mark Abraham
Improved dependencies on maths includes
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2014-01-29
Mark Abraham
Keep clang Address Sanitizer happy
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2014-01-28
Mark Abraham
Merge branch 'release-4-6'
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2014-01-28
Mark Abraham
Remove "gmx trjconv -app"
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2014-01-28
Mark Abraham
Remove unused fplog
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2014-01-28
Mark Abraham
Unify logic for timing counts
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2014-01-27
Mark Abraham
Don't number a list manually
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2014-01-23
Mark Abraham
Break dependency of fileio on tools
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2014-01-22
Mark Abraham
Update libxml2 CMake detection
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2014-01-21
Mark Abraham
Move more preprocessing files into the module
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2014-01-21
Mark Abraham
Ensure we don't #define constants before system headers
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2014-01-21
Mark Abraham
Remove hidden option to gmx dump
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2014-01-20
Mark Abraham
Remove various outdated things from the repo
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2014-01-20
Mark Abraham
Rename 'gmx tpbconv' to 'gmx convert-tpr'
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2014-01-20
Mark Abraham
Fix .gitignore of some files
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2014-01-19
Mark Abraham
Clean up after gmxcpp
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2014-01-19
Mark Abraham
Move dump, check and tpbconv utilities
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2014-01-17
Mark Abraham
Fix, simplify and test XTC writing
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2014-01-17
Mark Abraham
Clean up inputrec reading
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2014-01-14
Mark Abraham
Stop doing cppcheck on src/external
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2014-01-14
Mark Abraham
Remove useless trjcat -prec option
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2014-01-13
Mark Abraham
Fix mdrun integration tests
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2014-01-08
Mark Abraham
Remove unreachable fatal error
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2014-01-08
Mark Abraham
Remove unused debug code
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2014-01-08
Mark Abraham
Add helpful note about changed default behaviour
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2014-01-08
Mark Abraham
Create math module
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2013-12-19
Mark Abraham
Fix non-critical typo in #ifdef GMX_OMPEN_MP
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2013-12-05
Mark Abraham
Version bump after 5.0-beta1 release
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2013-12-05
Mark Abraham
Fix administrivia
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2013-12-02
Mark Abraham
Version bump after 4.6.5 release
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2013-12-02
Mark Abraham
Version bumps before release
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2013-12-02
Mark Abraham
Merge branch 'release-4-6'
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2013-12-01
Mark Abraham
Fix scope and naming of some variables
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2013-12-01
Mark Abraham
Turn on -Wunused-parameter where applicable
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2013-11-30
Mark Abraham
Add machinery for integration tests
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2013-11-28
Mark Abraham
Remove IMD manual section
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2013-11-27
Mark Abraham
Fix strange character in manual
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2013-11-26
Mark Abraham
Moved gromos87 writing code into fileio module
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2013-11-26
Mark Abraham
Add license for Sun XDR routines
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2013-11-19
Mark Abraham
Fix incorrect variable name in documentation
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