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Fix build for external boost 1.56.0
[alexxy/gromacs.git]
/
src
/
programs
/
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.
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commitdiff
2014-09-01
Mark Abraham
Merge branch release-4-6 into release-5-0
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commitdiff
2014-08-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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commitdiff
2014-08-17
Erik Lindahl
Fix Portland compiler warnings
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commitdiff
2014-08-16
Mark Abraham
Fix wallcycle counting with md-vv, sd and sd2
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commitdiff
2014-08-10
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-06-29
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-06-28
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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commitdiff
2014-06-28
Mark Abraham
Use parallel terminology more consistently
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commitdiff
2014-06-28
ngoga
Default SD integrator is now sd1 by Nicu Goga
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commitdiff
2014-06-27
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-06-27
Rossen Apostolov
Changed linking order to make Extrae work.
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commitdiff
2014-06-26
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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commitdiff
2014-06-26
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-06-24
Erik Lindahl
Added multisimulation info to log/output
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commitdiff
2014-06-12
Rossen Apostolov
Cleanup environment variables.
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commitdiff
2014-06-11
Berk Hess
Decoupled repl_ex_nst from nstcalcenergy
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commitdiff
2014-06-06
Mark Abraham
Merge release-4-6 into release-5-0
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commitdiff
2014-05-27
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-05-22
Berk Hess
Avoid energy drift with verlet-buffer-tolerance
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commitdiff
2014-05-22
Mark Abraham
Clarified docs for use of mdrun -nstlist
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commitdiff
2014-05-10
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2014-04-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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commitdiff
2014-04-14
Roland Schulz
Improve language choice
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commitdiff
2014-04-10
Mark Abraham
Merge branch 'release-4-6' into release-5-0
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commitdiff
2014-04-04
Teemu Murtola
Clean up gmx_fatal.*
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commitdiff
2014-04-02
David van der Spoel
Removed possibility of compiling with GSL.
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commitdiff
2014-04-02
Teemu Murtola
Move string2.* to utility/cstringutil.*
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commitdiff
2014-04-01
Teemu Murtola
Move smalloc.h to utility/
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commitdiff
2014-03-31
Teemu Murtola
Remove #include <...> for local files in gmx-view
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commitdiff
2014-03-31
David van der Spoel
Fixed compilation issue in fgrid.cpp due to int/enum
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commitdiff
2014-03-31
Teemu Murtola
Clean up smalloc.h
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commitdiff
2014-03-30
Teemu Murtola
Clean up string2.h-related includes
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commitdiff
2014-03-29
Teemu Murtola
Optimize intermodule dependencies
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commitdiff
2014-03-26
Martin Hoefling
Interactive Molecular Dynamics (IMD)
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commitdiff
2014-03-24
Teemu Murtola
Remove gmxpreprocess from include path
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commitdiff
2014-03-23
Mark Abraham
Merge branch release-4-6
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commitdiff
2014-03-23
Mark Abraham
Fix print_date_and_time
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commitdiff
2014-03-18
Roland Schulz
Fix dependencies on config.h for typedefs.h
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commitdiff
2014-03-17
Rossen Apostolov
Cleaned up endif/else-s in CMakeLists.txt and *.cmake...
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commitdiff
2014-03-17
Mark Abraham
Merge branch release-4-6
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commitdiff
2014-03-11
Rossen Apostolov
Removed .itp files from top level directory.
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commitdiff
2014-03-11
Berk Hess
PME load balancing now works with LJ-PME
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commitdiff
2014-03-11
Teemu Murtola
Fix misc. Doxygen issues
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commitdiff
2014-03-08
Teemu Murtola
Remove some unnecessary declarations
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commitdiff
2014-03-03
Roland Schulz
Merge release-4-6 into master
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commitdiff
2014-02-28
Teemu Murtola
Convert gmx-sas to the C++ framework
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commitdiff
2014-02-26
Berk Hess
Free-energy now works with the Verlet scheme
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commitdiff
2014-02-26
Roland Schulz
Replace all mdrun rngs with cycle based rng
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commitdiff
2014-02-26
Mark Abraham
Add ThreadSanitizer build type
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commitdiff
2014-02-24
Mark Abraham
Clean up options for domain decomposition
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commitdiff
2014-02-24
Berk Hess
Implemented LJ-PME nbnxn kernels
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commitdiff
2014-02-21
Roland Schulz
Merge "Merge release-4-6 into master"
tree
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commitdiff
2014-02-21
Roland Schulz
Merge release-4-6 into master
tree
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commitdiff
2014-02-20
Mark Abraham
Remove particle decomposition
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commitdiff
2014-02-20
Mark Abraham
Add integration tests for replica exchange
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commitdiff
2014-02-20
Rossen Apostolov
Rename ffopen and ffclose to gmx_ff*.
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commitdiff
2014-02-19
Berk Hess
Implemented nbnxn LJ switch functions
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commitdiff
2014-02-18
Mark Abraham
Fix outstanding references to "CPU acceleration"
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commitdiff
2014-02-18
Mark Abraham
Fix harmless bug with combination of group and twin...
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commitdiff
2014-02-11
Mark Abraham
Split genbox into 'solvate' and 'insert-molecules'
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commitdiff
2014-02-09
Mark Abraham
Move orientation restraints checks inside init function
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commitdiff
2014-02-08
Teemu Murtola
Fix & update docs for GMX_TEST_OPTIONS
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commitdiff
2014-02-04
Mark Abraham
Use feature to explain that tpbconv has moved
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commitdiff
2014-02-03
Mark Abraham
Clean up genbox and associated code
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commitdiff
2014-02-02
Roland Schulz
Merge release-4-6 into master
tree
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commitdiff
2014-02-02
Teemu Murtola
Get rid of src/programs/gmx/
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commitdiff
2014-01-30
Teemu Murtola
Rename ProgramInfo to CommandLineProgramContext
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commitdiff
2014-01-30
Teemu Murtola
Refactor ProgramInfo use
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commitdiff
2014-01-29
Teemu Murtola
Fixes to filename shell completions
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commitdiff
2014-01-29
Roland Schulz
Uncrustify all files
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commitdiff
2014-01-29
Berk Hess
Automated Verlet rlist for NVE simulations
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commitdiff
2014-01-29
Teemu Murtola
Merge "Merge branch 'release-4-6'"
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commitdiff
2014-01-28
David van der Spoel
Moved random number generator code to separate dir.
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commitdiff
2014-01-28
Mark Abraham
Merge branch 'release-4-6'
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commitdiff
2014-01-28
Carsten Kutzner
Allow for "computational electrophysiology" simulations...
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commitdiff
2014-01-28
Teemu Murtola
Shell completion export from the wrapper binary
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commitdiff
2014-01-27
Teemu Murtola
Simplify ProgramInfo
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commitdiff
2014-01-21
Mark Abraham
Move more preprocessing files into the module
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commitdiff
2014-01-20
Mark Abraham
Remove various outdated things from the repo
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commitdiff
2014-01-20
Mark Abraham
Rename 'gmx tpbconv' to 'gmx convert-tpr'
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commitdiff
2014-01-20
Magnus Lundborg
Add TNG writing and reading support
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commitdiff
2014-01-19
Teemu Murtola
Move strdb.* to src/gromacs/fileio/
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commitdiff
2014-01-19
Mark Abraham
Clean up after gmxcpp
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commitdiff
2014-01-19
Mark Abraham
Move dump, check and tpbconv utilities
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commitdiff
2014-01-17
Mark Abraham
Fix, simplify and test XTC writing
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commitdiff
2014-01-17
David van der Spoel
This patch moves preprocessing headers to gmxpreprocess
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commitdiff
2014-01-17
Mark Abraham
Clean up inputrec reading
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commitdiff
2014-01-13
Carsten Kutzner
Move pull code to separate subdirectory
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commitdiff
2014-01-13
Teemu Murtola
Move writeps.* into fileio/
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commitdiff
2014-01-13
Mark Abraham
Fix mdrun integration tests
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commitdiff
2014-01-11
Carsten Kutzner
Move essential dynamics / flooding code to separate...
tree
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commitdiff
2014-01-09
Roland Schulz
Merge release-4-6 into master
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commitdiff
2014-01-08
Mark Abraham
Remove unused debug code
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commitdiff
2014-01-08
Mark Abraham
Create math module
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commitdiff
2014-01-07
Teemu Murtola
Move gstat.h to gmxana/
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commitdiff
2014-01-01
Teemu Murtola
Add copyright year 2013 to files modified this year
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commitdiff
2014-01-01
Teemu Murtola
Include CUDA and latex files in copyright check
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commitdiff
2014-01-01
Roland Schulz
Merge release-4-6 into master
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commitdiff
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