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alexxy/gromacs.git
2012-09-04
Christoph Junghans
Merge "Reorganize CommandLineHelpWriter implementation."
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2012-09-04
Christoph Junghans
Merge "Fix SelectionParserParameter move constructor...
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2012-08-31
Teemu Murtola
Reorganize CommandLineHelpWriter implementation.
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2012-08-31
Teemu Murtola
Remove obsolete .gitignore entries.
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2012-08-30
Teemu Murtola
More generic way to obtain OptionInfo for options.
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2012-08-30
Teemu Murtola
Fix SelectionParserParameter move constructor problem.
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2012-08-28
Teemu Murtola
Enable C++ use in selection methods.
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2012-08-28
Teemu Murtola
Add syntax to force selection string matching mode.
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2012-08-28
Teemu Murtola
Remove remaining GMX_ERROR uses.
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2012-08-28
Teemu Murtola
Fix internal error with selection "resname help".
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2012-08-28
Teemu Murtola
Handle SelectionParserParameter as a value type.
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2012-08-28
Teemu Murtola
C++ classes for selection parser values.
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2012-08-28
Teemu Murtola
C++ classes for selection parser parameters.
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2012-08-28
Teemu Murtola
C++ classes for selection parser symbol table.
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2012-08-28
Teemu Murtola
Rationalize selection element name handling.
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2012-08-28
Teemu Murtola
Moved selection parser helpers into separate file.
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2012-08-28
Teemu Murtola
Use smart pointers to manage the selection tree.
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2012-08-28
Teemu Murtola
Remove most uses of t_selelem::refcount.
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2012-08-28
Teemu Murtola
Added a sfree_guard for exception safety.
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2012-08-08
Teemu Murtola
Improve the build system for gmx_header_config.h.
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2012-08-06
Christoph Junghans
Merge "Clarify TestFileManager naming and comments."
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2012-08-05
Teemu Murtola
Improve Doxygen output layout.
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2012-08-05
Teemu Murtola
Clarify TestFileManager naming and comments.
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2012-07-29
Roland Schulz
Fix GMX_USE_RELATIVE_INSTALL_PATH with GMX_INTERNAL_BOOST
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2012-07-29
Teemu Murtola
Reorganize Doxygen build.
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2012-07-28
Christoph Junghans
Merge "Increase miminum boost version to 1.44"
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2012-07-28
Christoph Junghans
Merge "Fix a few doxygen warnings."
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2012-07-28
Roland Schulz
Merge "Fix clang 3.2 warnings."
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2012-07-28
Roland Schulz
Increase miminum boost version to 1.44
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2012-07-27
Teemu Murtola
Fix clang 3.2 warnings.
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2012-07-27
Teemu Murtola
Fix a few doxygen warnings.
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2012-07-26
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6' into...
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2012-07-26
Christoph Junghans
Merge changes I33cd59e6,I8a2e539f
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2012-07-26
Roland Schulz
Fix that VMD version check was performed for binary...
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2012-07-25
Roland Schulz
Merge "cmake: allow switch between single and double...
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2012-07-25
Roland Schulz
Merge "fix a segfault in sse_mask_init" into release-4-6
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2012-07-24
Roland Schulz
Fix installation rules for man pages: don't install...
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2012-07-24
Roland Schulz
Add default root folder to cpack archives
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2012-07-24
Teemu Murtola
Merge remote-tracking branch 'gerrit/release-4-6'
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2012-07-24
Mark Abraham
Clean up of environment variables
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2012-07-19
Christoph Junghans
cmake: allow switch between single and double
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2012-07-17
Berk Hess
fix a segfault in sse_mask_init
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2012-07-16
Christoph Junghans
Merge "Removed commas from gmx_hbond OpenMP constructs...
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2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
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2012-07-15
Teemu Murtola
Draft support for multiple help output formats.
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2012-07-15
Roland Schulz
Take first description if programs.txt has more than...
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2012-07-15
David van der...
Merge "Autogenerate gromacs.7 from programs.txt" into...
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2012-07-15
Roland Schulz
Adding missing entries in programs.txt
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2012-07-15
Teemu Murtola
Removed commas from gmx_hbond OpenMP constructs.
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-07-12
Jochen Hub
Flat-bottomed position restraints
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2012-07-11
Teemu Murtola
Improve option initialization in traj. analysis.
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2012-07-10
Jochen Hub
Extended g_wham to allow the selection of the pull...
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2012-07-10
Roland Schulz
Adding missing entries in programs.txt
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2012-07-10
Roland Schulz
Use relative rpath to support relocatable binary packages
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2012-07-10
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6' into...
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2012-07-10
Roland Schulz
Allow usage of relative install paths
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2012-07-09
Christoph Junghans
Merge "Fixed bug in sfactor.c that makes g_rdf -sq...
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2012-07-09
Jochen Hub
Fixed bug in sfactor.c that makes g_rdf -sq give wrong...
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2012-07-09
Teemu Murtola
Fix memory error with complex boolean selections.
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2012-07-08
Teemu Murtola
Extension completion for FileNameOption.
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2012-07-07
Roland Schulz
Autogenerate gromacs.7 from programs.txt
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2012-07-06
Carsten Kutzner
Enforced rotation: PBC/restart fix
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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
Erik Marklund
Bugfix for the segfault that occurs with g_hbond -hbm...
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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
Elton Carvalho
Fixed L-BFGS trajectory output.
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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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