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alexxy/gromacs.git
2012-07-10
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6' into...
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2012-07-08
Teemu Murtola
Extension completion for FileNameOption.
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2012-07-06
Teemu Murtola
Better invalid option value handling.
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2012-07-06
Roland Schulz
Merge "Remove remaining underscore-prefixed C++ symbols."
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2012-07-06
Roland Schulz
Merge "Set common output directory for binaries"
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2012-07-06
Teemu Murtola
Remove remaining underscore-prefixed C++ symbols.
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2012-07-06
Teemu Murtola
Merge "Test framework for TrajectoryAnalysisModules."
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2012-07-06
Teemu Murtola
Test framework for TrajectoryAnalysisModules.
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2012-07-06
Roland Schulz
Adding FFT Unit Tests
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2012-07-06
Roland Schulz
Don't prevent GMX_PREFER_STATIC_LIBS with BUILD_SHARED_LIBS
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2012-07-06
Roland Schulz
Set common output directory for binaries
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2012-07-05
Christoph Junghans
Merge "Extract doxygen documentation for static symbols."
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2012-07-05
Roland Schulz
Build man-pages instead of distributing them in the...
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2012-07-05
David van der...
Merge "Improve ProgramInfo and use it everywhere."
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2012-07-05
Teemu Murtola
Extract doxygen documentation for static symbols.
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2012-07-05
Christoph Junghans
Merge "Fix most doxygen warnings."
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2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
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2012-07-05
Christoph Junghans
Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6
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2012-07-05
Christoph Junghans
Merge "Finalized and extended Szilard's openMP cleanup...
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2012-07-05
Roland Schulz
Don't rerun checks and be quiet 2nd time cmake is run
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2012-07-04
Erik Marklund
Finalized and extended Szilard's openMP cleanup of...
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2012-07-04
Roland Schulz
Merge "Add FindGROMACS.cmake to template's CMakeLists...
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2012-07-04
Roland Schulz
Merge "Fixed bug in free energy calculation for Morse...
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2012-07-04
Roland Schulz
Remove unused FFT functions
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2012-07-04
Teemu Murtola
Fix most doxygen warnings.
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2012-07-04
Roland Schulz
Fixes for FFT libraries
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2012-07-04
Berk Hess
set default for rcoulomb, rvdw and rlist to -1
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2012-07-03
Teemu Murtola
Improve ProgramInfo and use it everywhere.
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2012-07-03
Teemu Murtola
Error/exception handling improvements.
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2012-07-03
Teemu Murtola
Always build thread_mpi threading into libgromacs.
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2012-07-03
Szilárd Páll
Merge "Minor formatting and consistency changes to...
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2012-07-02
Christoph Junghans
Do not print disabled pressures and virials
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2012-06-30
David van der...
Fixed bug in free energy calculation for Morse potentials
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2012-06-29
Christoph Junghans
Add FindGROMACS.cmake to template's CMakeLists.txt
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2012-06-29
Michael Shirts
Minor formatting and consistency changes to txtdump.c
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2012-06-29
Michael Shirts
Corrected checkpoint version issues with free energy...
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2012-06-29
Sebastian Fritsch
Merge "Fixed adress kernel for double precision" into...
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2012-06-28
Christoph Junghans
Fixed adress kernel for double precision
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2012-06-28
Roland Schulz
Allow also FindMPI for cmake<2.8.5
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2012-06-28
Christoph Junghans
Merge "Fix MPI build for MPI library without mpi wrappe...
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2012-06-28
Teemu Murtola
Remove more underscore-prefixed C++ symbols.
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2012-06-28
Roland Schulz
Fix MPI build for MPI library without mpi wrapper
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2012-06-27
Szilard Pall
fixes typo gmx_omp introduced by 697bcdc
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2012-06-27
Christoph Junghans
Merge "Make C++11 test quiet after the first cmake...
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2012-06-27
Christoph Junghans
Merge "Use VERSION_LESS in the version detection code."
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2012-06-27
Teemu Murtola
Use VERSION_LESS in the version detection code.
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2012-06-27
Roland Schulz
Fix for boost version check added by 6b4c9bc
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2012-06-26
Teemu Murtola
Update CPack package version.
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2012-06-26
Teemu Murtola
Make C++11 test quiet after the first cmake run.
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2012-06-26
Roland Schulz
Merge "Make sure that found Boost version is new enough"
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2012-06-26
Roland Schulz
Fix that rerunning cmake gives the same result as 1st run
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2012-06-26
Teemu Murtola
Merge "Merge remote-tracking branch 'origin/release...
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2012-06-26
Roland Schulz
Make sure that found Boost version is new enough
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2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
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2012-06-26
Christoph Junghans
Merge "Merge remote-tracking branch 'gerrit/release...
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2012-06-25
Szilard Pall
introduce gmx_omp wrapper for the OpenMP API
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2012-06-25
Berk Hess
added check for log fp!=NULL when disabling acceleration
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2012-06-24
Christoph Junghans
Merge "Remove MPI define for FAH" into release-4-6
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2012-06-24
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6'
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2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
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2012-06-24
Teemu Murtola
Merge remote-tracking branch 'gerrit/release-4-6'
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2012-06-24
Roland Schulz
Fix mdp_opt formatting of expanded ensemble
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2012-06-24
Roland Schulz
Remove MPI define for FAH
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2012-06-23
Roland Schulz
Fix illegal usage of MPI_Comm_create
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2012-06-22
Christoph Junghans
Merge "Simple patch for openmm_wrapper.cpp" into releas...
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2012-06-22
Teemu Murtola
Increase coverate of selection unit tests.
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2012-06-21
Erik Lindahl
Fixed gcc inline assembly issue with PIC and older...
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2012-06-20
Teemu Murtola
Make the selection parser exception-proof.
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2012-06-20
Teemu Murtola
Use push parser for selection parsing.
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2012-06-20
Teemu Murtola
Add string utility functions for suffix handling.
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2012-06-20
Teemu Murtola
Rename format.h to more generic stringutil.h.
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2012-06-20
Teemu Murtola
Clean up option and selection flags.
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2012-06-20
Teemu Murtola
Remove (part of) underscore-prefixed C++ symbols.
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2012-06-20
Roland Schulz
Fix gmx_fatal for serial compilation
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2012-06-18
Martin Hoefling
gmx_dyecoupl: check selected groups from user
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2012-06-16
Erik Lindahl
New CPU detection & AVX/SSE code, removed raw assembly...
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2012-06-15
John Eblen
Remove unnecessary "move" on shared pointer
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2012-06-15
Justin Lemkul
Simple patch for openmm_wrapper.cpp
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2012-06-15
Christoph Junghans
Merge "Remove unnecessary *-impl.h files."
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2012-06-13
Teemu Murtola
Updates to selection online help.
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2012-06-13
Teemu Murtola
Remove unnecessary *-impl.h files.
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2012-06-13
Christoph Junghans
Merge "Merge branch 'release-4-6'"
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2012-06-06
Roland Schulz
Renamed TestTemporaryFileManager to TestFileManager
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2012-06-06
Roland Schulz
Testutils improvements for arrays and parameterized...
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2012-06-06
Roland Schulz
Merge branch 'release-4-6'
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2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
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2012-06-03
Roland Schulz
Merge release-4-6 into master
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2012-06-02
Sander Pronk
thread_mpi C++11 compatible mutex classes
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into releas...
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2012-06-01
Christoph Junghans
Merge "Replace our fftpack version with Numpy's version...
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2012-06-01
Roland Schulz
Replace our fftpack version with Numpy's version
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2012-06-01
Teemu Murtola
More config.h cleanup.
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2012-05-30
Teemu Murtola
Make get_libdir() robust when run from build tree.
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2012-05-30
Teemu Murtola
Fix use after free in g_anaeig projection code.
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2012-05-30
Teemu Murtola
Fixed some memory leaks.
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2012-05-29
Sander Pronk
Removed dependency on windows.h through commrec.h,...
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2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
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2012-05-29
Teemu Murtola
Improve 'g_ana help'.
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2012-05-29
Teemu Murtola
Generic handling of online help topics.
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