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Fixed name clashes with pre-defined names in our favorite operating system from Redmo...
[alexxy/gromacs.git]
/
src
/
2009-12-16
unknown
Fixed name clashes with pre-defined names in our favori...
tree
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commitdiff
2009-12-16
Teemu Murtola
Use read_stdin_line() for selections from a pipe.
tree
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commitdiff
2009-12-16
Roland Schulz
Added CMake code to enable option of building "old...
tree
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commitdiff
2009-12-15
Sander Pronk
Fixes in autoconf and source for Math Kernel Library...
tree
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commitdiff
2009-12-15
Berk Hess
fixed the cycle counter n for the PME subdivision
tree
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commitdiff
2009-12-15
Berk Hess
added PME subdivision to cycle counters
tree
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commitdiff
2009-12-14
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-12-14
Peter Kasson
Changed SSE typecasts back to #defines for portability...
tree
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commitdiff
2009-12-14
Teemu Murtola
Better selection stdin handling.
tree
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commitdiff
2009-12-14
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-12-12
Erik Lindahl
Replaced acos-based method for calculating angles betwe...
tree
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commitdiff
2009-12-11
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-12-11
Erik Lindahl
Fixed signed/unsigned comparison mismatch in scanner...
tree
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commitdiff
2009-12-11
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2009-12-11
Erik Lindahl
Fixed errors in vmdio.c when compiled with MSVC8, 64bit
tree
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commitdiff
2009-12-11
Per Larsson
Increased range and density in GB table
tree
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commitdiff
2009-12-11
Sander Pronk
thread_mpi: fixed 32-bit x86 atomics + a small bug...
tree
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commitdiff
2009-12-10
kasson
Added CMake code to enable option of building "old...
tree
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commitdiff
2009-12-10
kasson
Workarounds for md5.
tree
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commitdiff
2009-12-09
Sander Pronk
Added MPI_Cart_sub() to thread_mpi.
tree
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commitdiff
2009-12-09
Berk Hess
fixed g_rdf -s -xy hanging
tree
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commitdiff
2009-12-07
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2009-12-04
Erik Lindahl
typo in name for gmx_mm_castsi128_ps()
tree
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commitdiff
2009-12-04
Erik Lindahl
Fixed gromacs wrapper fot _mm_castsi128_ps intrinsic...
tree
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commitdiff
2009-12-03
Erik Lindahl
Committed all-angle-constraint fix from Peter Eastman...
tree
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commitdiff
2009-12-03
Erik Lindahl
Enabled separate PME nodes(threads) with thread-mpi...
tree
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commitdiff
2009-12-03
Sander Pronk
Fixed more g_bar output issues.
tree
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commitdiff
2009-12-03
Sander Pronk
fixed indexing error in g_bar introduced by previous...
tree
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commitdiff
2009-12-02
Berk Hess
fixed incorrect g_bar check for missing lambda values
tree
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commitdiff
2009-12-02
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2009-12-02
Erik Lindahl
Fixed mutex deadlock in gmx_fseek
tree
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commitdiff
2009-12-01
Roland Schulz
union instead of two pointers to same address (brakes...
tree
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commitdiff
2009-11-30
Roland Schulz
a few more ffopen/ffclose fixes
tree
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commitdiff
2009-11-30
Roland Schulz
close all files with ffclose which are opened with...
tree
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commitdiff
2009-11-30
Roland Schulz
full license text for vmd files
tree
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commitdiff
2009-11-30
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-30
Roland Schulz
reorganized so that it is easier to use vmdplugins...
tree
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commitdiff
2009-11-30
Roland Schulz
fix of error introduced by me doing C++ fixes
tree
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commitdiff
2009-11-30
Carsten Kutzner
g_tune_pme now does proper cleanup also with pull simul...
tree
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commitdiff
2009-11-30
Sander Pronk
Improved formatting in output of g_bar.
tree
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commitdiff
2009-11-30
Sander Pronk
Fixed deadlock when debug>0.
tree
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commitdiff
2009-11-28
Roland Schulz
C++ Fixes for -with-x11 -enable-mpi
tree
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commitdiff
2009-11-27
Sander Pronk
Fixed more C++ issues: the selection parser, and a...
tree
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commitdiff
2009-11-27
Sander Pronk
C++ fixes: thread_mpi fixes
tree
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commitdiff
2009-11-27
Sander Pronk
More C++ fixes: C++ build works (for me)!
tree
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commitdiff
2009-11-27
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-27
Roland Schulz
More C++ fixes (const char), some formating
tree
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commitdiff
2009-11-27
Sander Pronk
More C++ fixes: #include "gmx_ana.h" was missing in all
tree
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commitdiff
2009-11-27
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-27
Roland Schulz
More C++ fixes 2/2: header files were not included...
tree
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commitdiff
2009-11-27
Sander Pronk
More C++ fixes: header files were not included in their
tree
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commitdiff
2009-11-27
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-27
Roland Schulz
C++ fixes part2; extern C fixes in header files a*...
tree
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commitdiff
2009-11-27
Roland Schulz
fix to vmdplugin
tree
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commitdiff
2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-26
Roland Schulz
c++ fixes, mainly const char
tree
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commitdiff
2009-11-26
Roland Schulz
only allow any file extension for reading of trajectories
tree
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commitdiff
2009-11-26
Roland Schulz
Added VMD molfile plugin support to the analysis tools.
tree
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commitdiff
2009-11-26
Michael Shirts
Correction to use the reference pressure, not the exter...
tree
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commitdiff
2009-11-26
Michael Shirts
Changed the pV term to the correct one, with the refere...
tree
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commitdiff
2009-11-23
Roland Schulz
fixed md5 locking, removed misleading error message
tree
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commitdiff
2009-11-23
Sander Pronk
Non-bonded kernel source files now conditionally includ...
tree
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commitdiff
2009-11-23
Berk
removed MPI_Bcast of NULL pointers
tree
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commitdiff
2009-11-20
Sander Pronk
Fixed typo in tpxio.c, as pointed out by Ake Sandgren
tree
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commitdiff
2009-11-19
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-19
Berk Hess
fixed the g_rmsf -res option
tree
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commitdiff
2009-11-18
Berk
improved residue numbering
tree
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commitdiff
2009-11-18
Berk
fixed incorrect file names in grompp warnings
tree
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commitdiff
2009-11-18
Berk
fixed charge group size check in ns.c
tree
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commitdiff
2009-11-15
David van der Spoel
Added check for chdir return value.
tree
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commitdiff
2009-11-12
Berk
fixed distance restraints when present in multiple...
tree
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commitdiff
2009-11-11
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-11
Peter Kasson
PK bugfix for editconf
tree
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commitdiff
2009-11-11
Teemu Murtola
Fixed segfaults with empty selections.
tree
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commitdiff
2009-11-11
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-11
Peter Kasson
Added -align and -aligncenter options for editconf.
tree
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commitdiff
2009-11-11
Teemu Murtola
More general selection parser grammar.
tree
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commitdiff
2009-11-11
Berk Hess
fixed compiler warning
tree
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commitdiff
2009-11-11
Berk Hess
added exclusion support for cg-cg loops
tree
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commitdiff
2009-11-11
Berk
made CG neighbor lists switchable with an env.var.
tree
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commitdiff
2009-11-10
Teemu Murtola
gmxcpp fixes (bug #360 plus other fixes).
tree
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commitdiff
2009-11-10
Teemu Murtola
Added a gmxdump -p option to preprocess topology.
tree
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commitdiff
2009-11-10
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-10
Berk Hess
fixed g_anaeig incorrect masses for fitting when the...
tree
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commitdiff
2009-11-09
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-09
Peter Kasson
Fix to change sequential numbering in genconf and resid...
tree
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commitdiff
2009-11-09
Berk
fixed problems with distance restraints in mulitple...
tree
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commitdiff
2009-11-09
Teemu Murtola
Some simple memory leak fixes.
tree
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commitdiff
2009-11-09
Teemu Murtola
Added a resind selection keyword.
tree
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commitdiff
2009-11-09
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2009-11-09
Sander Pronk
fixes for atomic swap function & gmxfio md5 calc.
tree
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commitdiff
2009-11-09
Peter Kasson
Residue numbering functionality has changed. Added...
tree
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commitdiff
2009-11-08
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2009-11-08
Peter Kasson
Added code to restore old behavior of genconf -renumber...
tree
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commitdiff
2009-11-06
Teemu Murtola
Selection merge now works with constant positions.
tree
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commitdiff
2009-11-06
Teemu Murtola
A bit more modular selection position handling.
tree
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commitdiff
2009-11-06
Teemu Murtola
Better g_energy -nmol behavior (bug #365).
tree
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commitdiff
2009-11-06
Berk Hess
added check for MPI support in init_multisystem
tree
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commitdiff
2009-11-05
Peter Kasson
Modified genrestr to allow restraining only pairs withi...
tree
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commitdiff
2009-11-05
Teemu Murtola
More modular position handling.
tree
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commitdiff
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