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Move tools code to where it is used
[alexxy/gromacs.git]
/
src
/
2014-05-24
Mark Abraham
Move tools code to where it is used
tree
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commitdiff
2014-05-22
Teemu Murtola
Move cinvsqrtdata.c to math/ and remove Fortran remnants
tree
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commitdiff
2014-05-22
Teemu Murtola
Merge t_pbc definition into pbc.h
tree
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commitdiff
2014-05-22
Mark Abraham
Refactor string handling for GPU usage report
tree
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commitdiff
2014-05-21
Teemu Murtola
Move mshift.* to pbcutil/
tree
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commitdiff
2014-05-21
Teemu Murtola
Merge t_graph definition into mshift.h
tree
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commitdiff
2014-05-20
Teemu Murtola
Move rmpbc.* to pbcutil/
tree
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commitdiff
2014-05-19
Mark Abraham
Convert gmx_detect_hardware.c to C++
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
2014-05-17
Roland Schulz
Clean-up gmx_eof
tree
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commitdiff
2014-05-17
Teemu Murtola
More elaborate default handling for FileNameOption
tree
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commitdiff
2014-05-17
Teemu Murtola
Unit tests for parse_common_args() file options
tree
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commitdiff
2014-05-14
Teemu Murtola
Move physics.* to math/units.*
tree
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commitdiff
2014-05-14
Roland Schulz
Merge "Merge release-5-0 into master"
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
2014-05-09
Alexey Shvetsov
Fix clang 3.5 warnings regarding *abs*
tree
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commitdiff
2014-05-09
Berk Hess
Minor tweaks to the DD setup
tree
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commitdiff
2014-05-09
Roland Schulz
Fix comparison of array to NULL
tree
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commitdiff
2014-05-09
Roland Schulz
Merge "Merge branch release-4-6 into release-5-0" into...
tree
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commitdiff
2014-05-09
Roland Schulz
Fix OpenMP scope error
tree
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commitdiff
2014-05-09
Roland Schulz
Fix GCC 4.9 warnings
tree
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commitdiff
2014-05-09
Roland Schulz
Fix OpenMP unproteced update bug
tree
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commitdiff
2014-05-09
Roland Schulz
Fix GCC 4.8 warnings
tree
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commitdiff
2014-05-01
Teemu Murtola
Fix incorrect limits in FloatOptionStorage
tree
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commitdiff
2014-04-30
Roland Schulz
Fix usage of gmx_eof
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
2014-04-29
Berk Hess
Removed truncation of nrdf in v-rescale thermostat
tree
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commitdiff
2014-04-29
Justin Lemkul
Made ORCA compile.
tree
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commitdiff
2014-04-28
Teemu Murtola
Move mtxio.* to fileio/
tree
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commitdiff
2014-04-28
Roland Schulz
Reduced usage of typdefs.h
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
2014-04-27
Roland Schulz
Fix cppcheck 1.64 warnings
tree
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commitdiff
2014-04-24
Magnus Lundborg
More efficient TNG selection group creation
tree
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commitdiff
2014-04-23
Berk Hess
Fixed nbnxn FE list allocation issue
tree
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commitdiff
2014-04-22
Roland Schulz
Fix memory error in asc format IO
tree
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commitdiff
2014-04-21
Michael Shirts
Issue warnings for potential switch w/o defining switch...
tree
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commitdiff
2014-04-20
Roland Schulz
Move part of macros.h to grompp-impl.h
tree
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commitdiff
2014-04-17
Alexey Shvetsov
Move sfactor.[hc] to gmxana
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
Magnus Lundborg
Fixed bug inverting compression precision.
tree
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commitdiff
2014-04-16
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-04-16
Teemu Murtola
Remove unused minvert.h
tree
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commitdiff
2014-04-16
Roland Schulz
Fix whitespace
tree
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commitdiff
2014-04-16
Teemu Murtola
Fix typo in fatalerror.h
tree
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commitdiff
2014-04-16
Teemu Murtola
Move xvgr.* to fileio/
tree
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commitdiff
2014-04-16
Teemu Murtola
Clean up xvgr.h and viewit.h usage
tree
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commitdiff
2014-04-16
Teemu Murtola
Remove sysstuff.h
tree
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commitdiff
2014-04-16
Teemu Murtola
Remove sysstuff.h includes from headers
tree
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commitdiff
2014-04-16
Teemu Murtola
Refactor gmx_fatal()
tree
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commitdiff
2014-04-14
Roland Schulz
Improve language choice
tree
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commitdiff
2014-04-13
Teemu Murtola
Remove unused shift.h
tree
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commitdiff
2014-04-13
Teemu Murtola
Remove utility -> fileio dependencies
tree
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commitdiff
2014-04-13
Teemu Murtola
Clean up futil.*
tree
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commitdiff
2014-04-10
Mark Abraham
Merge branch 'release-4-6' into release-5-0
tree
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commitdiff
2014-04-10
Teemu Murtola
Clean up and fix issues in doc-check scripts
tree
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commitdiff
2014-04-10
Teemu Murtola
Move part of types/simple.h to utility/
tree
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commitdiff
2014-04-10
Carsten Kutzner
Re-use gmx_within_tol from math/utilities instead of...
tree
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commitdiff
2014-04-10
Mark Abraham
Further fix to gmx tune-pme
tree
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commitdiff
2014-04-10
Teemu Murtola
Remove utility/ dependencies on network.h and main.h
tree
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commitdiff
2014-04-09
Carlo Camilloni
Fixed g_rmsdist NOE calculation
tree
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commitdiff
2014-04-08
Teemu Murtola
Remove some utility -> legacyheaders dependencies
tree
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commitdiff
2014-04-08
Teemu Murtola
Move gmx_fatal.* to utility/fatalerror.*
tree
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commitdiff
2014-04-07
Mark Abraham
Fix invalid dereference in g_tune_pme
tree
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commitdiff
2014-04-07
Erik Lindahl
Make sure water optimization is disabled for esoteric...
tree
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commitdiff
2014-04-07
Teemu Murtola
Doxygen documentation for version.h
tree
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commitdiff
2014-04-04
Teemu Murtola
Remove ancient SGI-specific code
tree
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commitdiff
2014-04-04
Teemu Murtola
Clean up gmx_fatal.*
tree
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commitdiff
2014-04-03
Mark Abraham
Move string-parsing code to where it can be reused
tree
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commitdiff
2014-04-02
David van der Spoel
Removed possibility of compiling with GSL.
tree
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commitdiff
2014-04-02
Teemu Murtola
Move string2.* to utility/cstringutil.*
tree
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commitdiff
2014-04-02
Mark Abraham
Fixes for g_tune_pme for 5.0
tree
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commitdiff
2014-04-02
Mark Abraham
Fix bug accumulating nrank_pp_intranode on PME ranks
tree
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commitdiff
2014-04-02
Berk Hess
Added LJ-PME and LJ Pot-switch to PME load estimate
tree
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commitdiff
2014-04-02
Mark Abraham
Re-use gmx_greatest_common_divisor()
tree
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commitdiff
2014-04-01
Teemu Murtola
Move smalloc.h to utility/
tree
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commitdiff
2014-03-31
Teemu Murtola
Remove #include <...> for local files in gmx-view
tree
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commitdiff
2014-03-31
David van der Spoel
Fixed compilation issue in fgrid.cpp due to int/enum
tree
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commitdiff
2014-03-31
Rossen Apostolov
Added CMake support for Extrae.
tree
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commitdiff
2014-03-31
Teemu Murtola
Clean up smalloc.h
tree
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commitdiff
2014-03-31
Carsten Kutzner
Fix documentation of swap/enums.h
tree
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commitdiff
2014-03-31
Teemu Murtola
Move some math headers away from legacyheaders/
tree
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commitdiff
2014-03-31
Teemu Murtola
Remove dependency on commandline/ from oenv.cpp
tree
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commitdiff
2014-03-30
Teemu Murtola
Clean up string2.h-related includes
tree
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commitdiff
2014-03-29
Christian Wennberg
Free-energy support for LJ-PME
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commitdiff
2014-03-29
Teemu Murtola
Optimize intermodule dependencies
tree
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commitdiff
2014-03-29
Teemu Murtola
Improve version information handling
tree
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commitdiff
2014-03-28
Carsten Kutzner
Fix documentation issues for interactive MD module.
tree
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commitdiff
2014-03-28
Christian Wennberg
New VDW kernel flavour for LJ-PME and updated group...
tree
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commitdiff
2014-03-27
Teemu Murtola
Misc. Doxygen fixes
tree
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commitdiff
2014-03-27
Teemu Murtola
Move thread_mpi to src/external/
tree
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commitdiff
2014-03-26
Mark Abraham
Fix use of inline in IMD
tree
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commitdiff
2014-03-26
Daniel Landau
Add Cray compiler support
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commitdiff
2014-03-26
Carsten Kutzner
Documentation house-keeping in file swapcoords.c
tree
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commitdiff
2014-03-26
Martin Hoefling
Interactive Molecular Dynamics (IMD)
tree
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commitdiff
2014-03-24
Berk Hess
Adds cut-off checks for triclinic domain decomposition
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