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Merge release-5-0 into master
[alexxy/gromacs.git]
/
src
/
programs
/
2014-10-01
Mark Abraham
Merge release-5-0 into master
tree
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commitdiff
2014-09-30
Berk Hess
Avoid DLB with overloaded PME ranks
tree
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commitdiff
2014-09-29
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
tree
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commitdiff
2014-09-29
Berk Hess
Avoid PME tuning decreasing rcoulomb
tree
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commitdiff
2014-09-29
Roland Schulz
Merge release-4-6 into release-5-0
tree
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commitdiff
2014-09-23
Mark Abraham
Refactor mdrun integration tests
tree
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commitdiff
2014-09-23
Teemu Murtola
Reorganize CPack management
tree
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commitdiff
2014-09-23
Teemu Murtola
Generate man pages and completions by default if possible
tree
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commitdiff
2014-09-21
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-09-21
Teemu Murtola
Skip man/html/completion generation if not needed
tree
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commitdiff
2014-09-18
Mark Abraham
Merge branch release-4-6 into release-5-0
tree
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commitdiff
2014-09-17
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-09-17
David van der Spoel
Merge release-5-0 into master
tree
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commitdiff
2014-09-12
Mark Abraham
Minor changes to mdrun -h descriptions
tree
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commitdiff
2014-09-11
Teemu Murtola
Sort includes outside src/gromacs
tree
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commitdiff
2014-09-10
David van der Spoel
Remove .tpa, .tpb, .tpx, .trj files. Part of #1500.
tree
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commitdiff
2014-09-10
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-09-07
Roland Schulz
Remove some include order dependencies
tree
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commitdiff
2014-09-05
Teemu Murtola
Remove unnecessary config.h includes
tree
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commitdiff
2014-09-05
Teemu Murtola
Merge "Merge release-5-0 into master"
tree
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commitdiff
2014-09-05
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-09-04
Teemu Murtola
Include config.h directly if used
tree
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commitdiff
2014-09-04
Teemu Murtola
Merge "Merge release-5-0 into master"
tree
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commitdiff
2014-09-04
Mark Abraham
Created bonded module
tree
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commitdiff
2014-09-03
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-09-03
Roland Schulz
Fix that TNG tests were not run
tree
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commitdiff
2014-09-01
Magnus Lundborg
When writing TNG include file closing in wallcycle.
tree
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commitdiff
2014-09-01
Mark Abraham
Merge branch release-4-6 into release-5-0
tree
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commitdiff
2014-08-29
Mark Abraham
Merge branch release-4-6 into release-5-0
tree
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commitdiff
2014-08-25
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-08-22
Teemu Murtola
Move -nice handling to CommandLineModuleManager
tree
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commitdiff
2014-08-20
Teemu Murtola
Merge release-5-0 into master
tree
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commitdiff
2014-08-19
Teemu Murtola
Introduce gmxpre.h for truly global definitions
tree
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commitdiff
2014-08-17
Roland Schulz
Remove check that auto-generated files exist
tree
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commitdiff
2014-08-17
Erik Lindahl
Fix Portland compiler warnings
tree
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commitdiff
2014-08-17
Roland Schulz
Use full path for legacyheaders
tree
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commitdiff
2014-08-17
Mark Abraham
Remove mdrun -seppot
tree
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commitdiff
2014-08-16
Mark Abraham
Fix wallcycle counting with md-vv, sd and sd2
tree
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commitdiff
2014-08-16
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-08-11
Roland Schulz
Move some verlet headers to mdlib
tree
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commitdiff
2014-08-10
Roland Schulz
Merge release-4-6 into release-5-0
tree
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commitdiff
2014-07-31
Teemu Murtola
Merge "Merge release-5-0 into master"
tree
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commitdiff
2014-07-31
Roland Schulz
Replace most strdup with gmx_strdup
tree
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commitdiff
2014-07-31
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-07-28
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-07-16
Mark Abraham
Quiet gcc-4.8 warnings about unused results
tree
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commitdiff
2014-07-09
Teemu Murtola
Merge release-5-0 into master
tree
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commitdiff
2014-07-09
Roland Schulz
Remove all unnecessary HAVE_CONFIG_H
tree
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commitdiff
2014-07-08
Teemu Murtola
Remove PCA_QUIET
tree
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commitdiff
2014-07-08
Teemu Murtola
Clean up program name handling in oenv
tree
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commitdiff
2014-07-08
Teemu Murtola
Improve FileNameOption error handling
tree
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commitdiff
2014-07-08
Teemu Murtola
Remove selection help from SelectionCollection
tree
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commitdiff
2014-07-08
Mark Abraham
Remove bOK from MD loop
tree
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commitdiff
2014-07-05
Teemu Murtola
Merge release-5-0 into master
tree
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commitdiff
2014-06-30
Teemu Murtola
Merge release-5-0 into master
tree
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commitdiff
2014-06-29
Roland Schulz
Merge release-4-6 into release-5-0
tree
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commitdiff
2014-06-28
Mark Abraham
Merge branch 'release-4-6' into release-5-0
tree
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commitdiff
2014-06-28
Mark Abraham
Use parallel terminology more consistently
tree
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commitdiff
2014-06-28
ngoga
Default SD integrator is now sd1 by Nicu Goga
tree
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commitdiff
2014-06-28
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-06-27
Roland Schulz
Merge release-4-6 into release-5-0
tree
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commitdiff
2014-06-27
Rossen Apostolov
Changed linking order to make Extrae work.
tree
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commitdiff
2014-06-26
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
tree
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commitdiff
2014-06-26
Roland Schulz
Merge release-4-6 into release-5-0
tree
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commitdiff
2014-06-24
Erik Lindahl
Added multisimulation info to log/output
tree
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commitdiff
2014-06-24
Mark Abraham
Converted runner.c to C++
tree
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commitdiff
2014-06-19
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-06-18
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-06-12
Rossen Apostolov
Cleanup environment variables.
tree
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commitdiff
2014-06-11
Berk Hess
Decoupled repl_ex_nst from nstcalcenergy
tree
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commitdiff
2014-06-07
David van der Spoel
Merge "Merge release-5-0 into master"
tree
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commitdiff
2014-06-07
David van der Spoel
Merge release-5-0 into master
tree
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commitdiff
2014-06-07
Teemu Murtola
Move index.* to topology/
tree
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commitdiff
2014-06-06
Mark Abraham
Merge release-4-6 into release-5-0
tree
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commitdiff
2014-06-05
Mark Abraham
Merge "Merge release-5-0 into master"
tree
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commitdiff
2014-06-03
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-06-03
Mark Abraham
Convert repl_ex.c to C++
tree
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commitdiff
2014-06-02
Mark Abraham
Converted md.c to C++
tree
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commitdiff
2014-06-02
Teemu Murtola
Move atomprop.* to topology/
tree
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commitdiff
2014-05-31
Teemu Murtola
Move mtop_util.* and topsort.* to topology/
tree
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commitdiff
2014-05-27
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-05-27
Roland Schulz
Merge release-4-6 into release-5-0
tree
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commitdiff
2014-05-24
Teemu Murtola
Move pbc.* to pbcutil/
tree
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commitdiff
2014-05-22
Berk Hess
Avoid energy drift with verlet-buffer-tolerance
tree
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commitdiff
2014-05-22
Mark Abraham
Clarified docs for use of mdrun -nstlist
tree
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commitdiff
2014-05-22
Teemu Murtola
Merge t_pbc definition into pbc.h
tree
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commitdiff
2014-05-21
Teemu Murtola
Move mshift.* to pbcutil/
tree
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commitdiff
2014-05-20
Teemu Murtola
Move rmpbc.* to pbcutil/
tree
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commitdiff
2014-05-18
Teemu Murtola
Clean up matio.*
tree
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commitdiff
2014-05-18
Teemu Murtola
Move 3dview.* to programs/view/
tree
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commitdiff
2014-05-18
Teemu Murtola
Clean up math/
tree
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commitdiff
2014-05-14
Teemu Murtola
Move physics.* to math/units.*
tree
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commitdiff
2014-05-10
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-05-10
Roland Schulz
Merge release-4-6 into release-5-0
tree
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commitdiff
2014-04-29
Mark Abraham
Merge branch release-4-6 into release-5-0
tree
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commitdiff
2014-04-27
Teemu Murtola
Move rvec and friends to math/vectypes.h
tree
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commitdiff
2014-04-27
Teemu Murtola
Move 'real' definition to utility/real.h
tree
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commitdiff
2014-04-17
Teemu Murtola
Move vec.h to math/
tree
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commitdiff
2014-04-17
Mark Abraham
Merge "Merge release-5-0 into master"
tree
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commitdiff
2014-04-16
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
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