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Merge "Removed unused code from src/kernel/."
[alexxy/gromacs.git]
/
src
/
2012-05-03
David van der Spoel
Merge "Removed unused code from src/kernel/."
tree
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commitdiff
2012-05-03
Teemu Murtola
Use GMX_NATIVE_WINDOWS in path.cpp.
tree
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commitdiff
2012-05-02
Teemu Murtola
Move HAVE_CXX11 define to gmx_header_config.h.
tree
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commitdiff
2012-05-02
Teemu Murtola
Move gmx_header_config under utility/.
tree
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commitdiff
2012-05-02
Teemu Murtola
Removed unused code from src/kernel/.
tree
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commitdiff
2012-05-02
Roland Schulz
Merge "Remove unused magic.h."
tree
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commitdiff
2012-05-02
Teemu Murtola
Make output_env struct properly private/opaque.
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commitdiff
2012-05-02
Teemu Murtola
Remove unused magic.h.
tree
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commitdiff
2012-05-02
Christoph Junghans
Merge "Remove unnecessary uses of gmx_header_config.h."
tree
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commitdiff
2012-05-02
Christoph Junghans
Merge "Add tests for PDB-specific selection methods."
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commitdiff
2012-05-02
Teemu Murtola
Merge "Merge release-4-6 into master"
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commitdiff
2012-05-02
Teemu Murtola
Add tests for PDB-specific selection methods.
tree
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commitdiff
2012-05-01
Roland Schulz
Merge release-4-6 into master
tree
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commitdiff
2012-05-01
Teemu Murtola
Remove unnecessary uses of gmx_header_config.h.
tree
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commitdiff
2012-05-01
Roland Schulz
Merge "Disable OpenMP for llvm-gcc 4.2.x" into release-4-6
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commitdiff
2012-05-01
Teemu Murtola
Remove unused files.
tree
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commitdiff
2012-04-30
Roland Schulz
Fix gmxdump error introduced by 553d4b1369
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2012-04-29
David van der Spoel
Merge "changed number of iatoms for F_SETTLE from 1...
tree
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commitdiff
2012-04-29
David van der Spoel
Merge "added support for graphs not starting at 0"...
tree
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commitdiff
2012-04-29
Roland Schulz
Don't enable ASM if no asm kernel is selected
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-6 into master
tree
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-28
Berk Hess
fixed PME forces with FE, fixes #929 introduced in...
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commitdiff
2012-04-28
Teemu Murtola
Merge "Fix for sigaction" into release-4-6
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commitdiff
2012-04-28
Roland Schulz
Fix srenew/sfree_aligned misuse in PME
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commitdiff
2012-04-28
Mark Abraham
Merge "Remove checks based on Generator" into release...
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commitdiff
2012-04-28
Mark Abraham
Merge "Fix version info generation for autoconf." into...
tree
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commitdiff
2012-04-28
Roland Schulz
Fix MSVC warning: Dereference end iterator
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commitdiff
2012-04-27
Berk Hess
fixed segv in TPI with PME, fixes #927
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commitdiff
2012-04-27
Berk Hess
changed PME MPI_Comm comparisions to MPI_COMM_NULL...
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commitdiff
2012-04-27
Berk Hess
changed number of iatoms for F_SETTLE from 1 to 3
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commitdiff
2012-04-27
Teemu Murtola
Fix version info generation for autoconf.
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commitdiff
2012-04-27
Roland Schulz
Fix for sigaction
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commitdiff
2012-04-26
Berk Hess
added support for graphs not starting at 0
tree
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commitdiff
2012-04-26
Berk Hess
Merge "Merge release-4-5-patches into release-4-6"...
tree
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commitdiff
2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-26
David van der Spoel
Merge "[tools] g_sans - splited out fixes and added...
tree
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commitdiff
2012-04-26
Berk Hess
fixed the reported temperature with Brownian dynamics
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commitdiff
2012-04-26
Berk Hess
fixed dispersion correction with parallel EM
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commitdiff
2012-04-26
Teemu Murtola
Fix File::readToString() on Windows.
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commitdiff
2012-04-26
Szilárd Páll
Merge "fixed initial COM motion removal with multiple...
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commitdiff
2012-04-26
Teemu Murtola
More error checking to gmx::File.
tree
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commitdiff
2012-04-26
Teemu Murtola
Move string array concatenation to format.h.
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commitdiff
2012-04-26
Teemu Murtola
Add text formatting classes.
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commitdiff
2012-04-26
Teemu Murtola
Misc. option fixes.
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commitdiff
2012-04-26
Alexey Shvetsov
[tools] g_sans - splited out fixes and added citation
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commitdiff
2012-04-26
David van der Spoel
Merge "Various improvements to shell code" into release...
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commitdiff
2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
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commitdiff
2012-04-25
Berk Hess
fixed initial COM motion removal with multiple groups
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commitdiff
2012-04-24
Berk Hess
Merge "allow -append to overrule unsupported file locki...
tree
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commitdiff
2012-04-23
Roland Schulz
Merge "Fix 'make install'."
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commitdiff
2012-04-23
Christoph Junghans
Merge "compiler flag fixes" into release-4-6
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commitdiff
2012-04-23
Teemu Murtola
Fix 'make install'.
tree
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commitdiff
2012-04-23
Teemu Murtola
Better names for FileNameOption methods.
tree
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commitdiff
2012-04-23
Teemu Murtola
Add a simple C++ file wrapper class.
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commitdiff
2012-04-22
Roland Schulz
Resolving a couple of clang analyzer warnings
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commitdiff
2012-04-22
Roland Schulz
Merge "enable command line option cheking in mdrun...
tree
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commitdiff
2012-04-21
Teemu Murtola
Split command line parsing to separate directory.
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commitdiff
2012-04-19
Mark Abraham
Various improvements to shell code
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commitdiff
2012-04-18
Teemu Murtola
Merge two separate nbsearch.h files.
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commitdiff
2012-04-18
Teemu Murtola
Split FileNameOption into a separate file.
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commitdiff
2012-04-18
Teemu Murtola
More reorganization of cmdlinehelpwriter.*.
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commitdiff
2012-04-18
Teemu Murtola
Renamed AsciiHelpWriter to CommandLineHelpWriter.
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commitdiff
2012-04-18
Kasson
Merge "Merge fatalerror into utility."
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commitdiff
2012-04-18
Berk Hess
fixed segfault in graph code with coordinate subsets
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commitdiff
2012-04-18
Mark Abraham
Removed outdated #includes
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commitdiff
2012-04-18
Berk Hess
allow -append to overrule unsupported file locking
tree
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commitdiff
2012-04-18
Teemu Murtola
Remove unused interactive code from indexutil.*.
tree
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commitdiff
2012-04-18
Szilard Pall
added missing #ifdef around #include "thread_mpi.h"
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commitdiff
2012-04-17
Berk Hess
changed mdrun file locking not supported error to a...
tree
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commitdiff
2012-04-17
Mark Abraham
Added Windows-specific #defines, and use them
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commitdiff
2012-04-17
Teemu Murtola
Merge fatalerror into utility.
tree
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commitdiff
2012-04-16
Roland Schulz
Merge "changed default for nstxout, nstvout and nstlog...
tree
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commitdiff
2012-04-16
Roland Schulz
Merge "Add documentation for template.cpp."
tree
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commitdiff
2012-04-16
Roland Schulz
Merge "Updated Doxygen comments for selections."
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commitdiff
2012-04-16
Roland Schulz
Merge "checkpoint files now contain a double precision...
tree
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commitdiff
2012-04-16
David van der Spoel
Merge "Added support for dssp2.X with the -ver option...
tree
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commitdiff
2012-04-16
David van der Spoel
Merge "Expanded the help text regarding the -r2 and...
tree
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commitdiff
2012-04-16
Erik Marklund
Expanded the help text regarding the -r2 and -ac options.
tree
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commitdiff
2012-04-16
Berk Hess
changed default for nstxout, nstvout and nstlog
tree
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commitdiff
2012-04-16
Berk Hess
checkpoint files now contain a double precision flag
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commitdiff
2012-04-16
Roland Schulz
Restart IO operations when interrupter by signal
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commitdiff
2012-04-16
Sander Pronk
Merge "Permit threads build on Cygwin" into release...
tree
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commitdiff
2012-04-16
Erik Marklund
Added support for dssp2.X with the -ver option
tree
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commitdiff
2012-04-15
Szilard Pall
enable command line option cheking in mdrun
tree
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commitdiff
2012-04-15
Teemu Murtola
Updated Doxygen comments for selections.
tree
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commitdiff
2012-04-14
Teemu Murtola
Merge "Clarified warning message" into release-4-5...
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commitdiff
2012-04-14
Teemu Murtola
Merge "Clarified warning string" into release-4-5-patches
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commitdiff
2012-04-14
Mark Abraham
Described default output behaviour
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commitdiff
2012-04-14
Mark Abraham
Clarified warning message
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commitdiff
2012-04-14
Mark Abraham
Clarified warning string
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commitdiff
2012-04-14
Teemu Murtola
Enable command-line options for unit tests.
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commitdiff
2012-04-12
Teemu Murtola
Read PDB information in read_tps_conf().
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commitdiff
2012-04-11
Teemu Murtola
Removed Selection::indexGroup().
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commitdiff
2012-04-11
Roland Schulz
Fix that directory is not mistaken for binary
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commitdiff
2012-04-10
Teemu Murtola
Clean-up selection poscalc implementation.
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commitdiff
2012-04-10
Teemu Murtola
More comments for trajectoryanalysis.
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commitdiff
2012-04-10
Teemu Murtola
More comments for analysisdata.
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commitdiff
2012-04-10
Mark Abraham
Made g_helix sensitive to CHARMM atom naming
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