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alexxy/gromacs.git
2014-05-14
Roland Schulz
Merge "Merge release-5-0 into master"
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2014-05-10
Roland Schulz
Merge release-5-0 into master
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2014-05-10
Roland Schulz
Merge release-4-6 into release-5-0
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2014-05-09
Alexey Shvetsov
Fix clang 3.5 warnings regarding *abs*
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2014-05-09
Berk Hess
Minor tweaks to the DD setup
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2014-05-09
Roland Schulz
Fix comparison of array to NULL
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2014-05-09
Roland Schulz
Merge "Merge branch release-4-6 into release-5-0" into...
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2014-05-09
Roland Schulz
Fix OpenMP scope error
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2014-05-09
Roland Schulz
Fix GCC 4.9 warnings
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2014-05-09
Roland Schulz
Fix OpenMP unproteced update bug
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2014-05-09
Roland Schulz
Fix GCC 4.8 warnings
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2014-05-05
Pino Toscano
cmake: enable shared libraries by default on Hurd
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2014-05-01
Teemu Murtola
Fix incorrect limits in FloatOptionStorage
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2014-04-30
Roland Schulz
Fix usage of gmx_eof
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2014-04-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-04-29
Berk Hess
Removed truncation of nrdf in v-rescale thermostat
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2014-04-29
Justin Lemkul
Made ORCA compile.
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2014-04-28
Teemu Murtola
Move mtxio.* to fileio/
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2014-04-28
Roland Schulz
Reduced usage of typdefs.h
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2014-04-27
Teemu Murtola
Move rvec and friends to math/vectypes.h
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2014-04-27
Teemu Murtola
Move 'real' definition to utility/real.h
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2014-04-27
Roland Schulz
Fix cppcheck 1.64 warnings
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2014-04-24
Magnus Lundborg
More efficient TNG selection group creation
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2014-04-23
Berk Hess
Fixed nbnxn FE list allocation issue
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2014-04-22
Roland Schulz
Fix memory error in asc format IO
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2014-04-21
Michael Shirts
Issue warnings for potential switch w/o defining switch...
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2014-04-20
Roland Schulz
Move part of macros.h to grompp-impl.h
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2014-04-17
Alexey Shvetsov
Move sfactor.[hc] to gmxana
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2014-04-17
Teemu Murtola
Move vec.h to math/
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2014-04-17
Mark Abraham
Merge "Merge release-5-0 into master"
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2014-04-16
Magnus Lundborg
Fixed bug inverting compression precision.
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2014-04-16
Roland Schulz
Merge release-5-0 into master
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2014-04-16
Teemu Murtola
Remove unused minvert.h
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2014-04-16
Roland Schulz
Fix whitespace
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2014-04-16
Mark Abraham
Fix and simplify version matching for running tests
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2014-04-16
Teemu Murtola
Fix typo in fatalerror.h
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2014-04-16
Teemu Murtola
Move xvgr.* to fileio/
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2014-04-16
Teemu Murtola
Clean up xvgr.h and viewit.h usage
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2014-04-16
Teemu Murtola
Remove sysstuff.h
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2014-04-16
Teemu Murtola
Remove sysstuff.h includes from headers
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2014-04-16
Teemu Murtola
Refactor gmx_fatal()
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2014-04-15
Mark Abraham
Beer + table soccer = quote!
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2014-04-14
Roland Schulz
Improve language choice
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2014-04-13
Teemu Murtola
Remove unused shift.h
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2014-04-13
Teemu Murtola
Remove utility -> fileio dependencies
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2014-04-13
Teemu Murtola
Clean up futil.*
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2014-04-10
Justin Lemkul
Fixed typo in manual README.
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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
Teemu Murtola
Clean up and fix issues in doc-check scripts
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2014-04-10
Teemu Murtola
Move part of types/simple.h to utility/
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2014-04-10
Carsten Kutzner
Re-use gmx_within_tol from math/utilities instead of...
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2014-04-10
Mark Abraham
Further fix to gmx tune-pme
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2014-04-10
Teemu Murtola
Remove utility/ dependencies on network.h and main.h
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2014-04-09
Carlo Camilloni
Fixed g_rmsdist NOE calculation
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2014-04-09
Justin Lemkul
Fixed MG typo in residuetypes.dat
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2014-04-08
Teemu Murtola
Remove some utility -> legacyheaders dependencies
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2014-04-08
Teemu Murtola
Version bump for post-5.0 development
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2014-04-08
Teemu Murtola
Move gmx_fatal.* to utility/fatalerror.*
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2014-04-07
Mark Abraham
Fix invalid dereference in g_tune_pme
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2014-04-07
Erik Lindahl
Make sure water optimization is disabled for esoteric...
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2014-04-07
Mark Abraham
Version bump for 5.0-rc1
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2014-04-07
Teemu Murtola
Doxygen documentation for version.h
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2014-04-04
Teemu Murtola
Remove ancient SGI-specific code
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2014-04-04
Teemu Murtola
Clean up gmx_fatal.*
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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
Roland Schulz
Add doc for spec. values of GMX_MAXBACKUP
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2014-04-02
David van der...
Removed possibility of compiling with GSL.
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2014-04-02
Teemu Murtola
Move string2.* to utility/cstringutil.*
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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
Berk Hess
Added LJ-PME and LJ Pot-switch to PME load estimate
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2014-04-02
Mark Abraham
Re-use gmx_greatest_common_divisor()
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2014-04-01
Teemu Murtola
Move smalloc.h to utility/
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2014-03-31
Teemu Murtola
Remove #include <...> for local files in gmx-view
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2014-03-31
David van der...
Fixed compilation issue in fgrid.cpp due to int/enum
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2014-03-31
Mark Abraham
Remove quote
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2014-03-31
Rossen Apostolov
Added CMake support for Extrae.
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2014-03-31
Teemu Murtola
Clean up smalloc.h
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2014-03-31
Carsten Kutzner
Fix documentation of swap/enums.h
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2014-03-31
Teemu Murtola
Move some math headers away from legacyheaders/
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2014-03-31
Roland Schulz
Disable shared libraries by default for mdrun-only
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2014-03-31
Teemu Murtola
Remove dependency on commandline/ from oenv.cpp
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2014-03-30
Teemu Murtola
Clean up string2.h-related includes
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2014-03-29
Christian Wennberg
Free-energy support for LJ-PME
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2014-03-29
Teemu Murtola
Optimize intermodule dependencies
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2014-03-29
Teemu Murtola
Improve version information handling
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2014-03-29
Teemu Murtola
Better include dependency graph generator
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2014-03-28
Carsten Kutzner
Fix documentation issues for interactive MD module.
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2014-03-28
Christian Wennberg
New VDW kernel flavour for LJ-PME and updated group...
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2014-03-27
Teemu Murtola
Move include dependency checks to doc-check
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2014-03-27
Teemu Murtola
Better automated Doxygen documentation checker
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2014-03-27
Teemu Murtola
Misc. Doxygen fixes
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2014-03-27
Teemu Murtola
Move thread_mpi to src/external/
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2014-03-26
Mark Abraham
Fix use of inline in IMD
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2014-03-26
Daniel Landau
Add Cray compiler support
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2014-03-26
Carsten Kutzner
Documentation house-keeping in file swapcoords.c
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2014-03-26
Martin Hoefling
Interactive Molecular Dynamics (IMD)
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2014-03-24
Berk Hess
Adds cut-off checks for triclinic domain decomposition
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2014-03-24
Teemu Murtola
Remove gmxpreprocess from include path
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2014-03-23
Mark Abraham
Keep CMake quiet about non-detection of optional stuff
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