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Merge branch 'release-4-5-patches'
[alexxy/gromacs.git]
/
src
/
2010-08-03
Szilard Pall
Merge branch 'release-4-5-patches'
tree
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commitdiff
2010-08-03
Szilard Pall
Merge branch 'release-4-5-patches'
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commitdiff
2010-08-03
David van der Spoel
Merge branch 'release-4-5-patches'
tree
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commitdiff
2010-08-03
David van der Spoel
Merge branch 'release-4-5-patches'
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commitdiff
2010-08-03
David van der Spoel
Fixed documentation text according to bugzilla 486
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commitdiff
2010-08-02
Christoph Junghans
Merge remote branch 'origin/release-4-5-patches'
tree
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commitdiff
2010-08-02
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
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commitdiff
2010-08-02
Erik Lindahl
Modified TER record writing behaviour (only add after...
tree
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commitdiff
2010-08-02
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
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commitdiff
2010-08-02
Christoph Junghans
updated ignore files
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commitdiff
2010-08-02
Sander Pronk
Added missing .h file.
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commitdiff
2010-08-02
Pär Bjelkmar
Merge branch 'release-4-5-patches'
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commitdiff
2010-08-02
Erik Lindahl
Removed unused variable that caused a warning
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commitdiff
2010-08-02
Erik Lindahl
Temporarily disabled double precision SSE2 generalized...
tree
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commitdiff
2010-08-02
Sander Pronk
Fixed shared library build by removing references to...
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commitdiff
2010-08-01
Roland Schulz
include sys/types before regex for broken regex.h
tree
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commitdiff
2010-08-01
Erik Lindahl
Modified index processing to reinstate residue-splittin...
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commitdiff
2010-08-01
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
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commitdiff
2010-08-01
David van der Spoel
Moved pdb2top.h from src/kernel to include to allow...
tree
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commitdiff
2010-08-01
Berk
added nstpcouple-nlist change with twin-range in grompp...
tree
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commitdiff
2010-08-01
Roland Schulz
include sys/types before regex for broken regex.h
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commitdiff
2010-08-01
Roland Schulz
fix spelling etc epc
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commitdiff
2010-08-01
Roland Schulz
added missing initialization
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commitdiff
2010-07-31
David van der Spoel
Renamed typename to my_typename in index.c since typena...
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commitdiff
2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-30
Erik Lindahl
Replaced non-thread-safe calls to ctime() with our...
tree
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commitdiff
2010-07-30
Berk
minor update for nst change
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commitdiff
2010-07-30
Berk
added mdp parameters nsttcouple and nstpcouple
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commitdiff
2010-07-30
Sander Pronk
More onerous locking of open_files in gmx_fio.
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commitdiff
2010-07-30
Erik Lindahl
Added portable gmx_ctime_r() to enable replacement...
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commitdiff
2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-30
Erik Lindahl
Replaced localtime with localtime_r() on unix and local...
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commitdiff
2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-30
Erik Lindahl
Replaced readdir() with readdir_r() to avoid future...
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commitdiff
2010-07-30
Berk
copied VV initial T fix from md.c to gmx_membed.c ...
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commitdiff
2010-07-30
Berk
print_date_and_time now only calls ctime when fplog...
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commitdiff
2010-07-30
Berk
all em integrators now set the runtime
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commitdiff
2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-30
Erik Lindahl
Ported x86-64 single precision SSE2 all-vs-all patch...
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commitdiff
2010-07-30
Sander Pronk
Fixed ffclose bug in futil.c, gmx_fio_close now checks...
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commitdiff
2010-07-30
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-30
Sander Pronk
Fixed a potential mutex problem in gmx_fio.c
tree
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commitdiff
2010-07-30
Berk
made integrator nm work in parallel
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commitdiff
2010-07-30
Berk
commented out nthreads and threadid in t_commrec to...
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commitdiff
2010-07-30
Berk
corrected pdb2gmx watermodel None counter print
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commitdiff
2010-07-30
Christoph Junghans
switched to the right gsl define (HAVE_LIBGSL) in cmake...
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commitdiff
2010-07-30
Christoph Junghans
added right threads flag in cmake pkg-config files
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commitdiff
2010-07-29
Rossen Apostolov
Added *.pc.cmakein files for distribution
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commitdiff
2010-07-29
Rossen Apostolov
Removed OpenMM interface from autoconf, use CMake inste...
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commitdiff
2010-07-29
Christoph Junghans
cmake creates pc files now
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commitdiff
2010-07-29
Erik Lindahl
Commented out calls to double prec. SSE2 all-vs-all...
tree
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commitdiff
2010-07-29
Erik Lindahl
Worked around cross-inclusion problem between grompp...
tree
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commitdiff
2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-29
Erik Lindahl
Changed index group analysis to only create water_and_i...
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commitdiff
2010-07-29
Berk
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-07-29
Rossen Apostolov
Fixed a typo in previous Makefile.am commit
tree
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commitdiff
2010-07-29
Berk
increased print space for index group names
tree
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commitdiff
2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-29
Erik Lindahl
Added residuedefinitions for water, and introduced...
tree
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commitdiff
2010-07-29
Rossen Apostolov
Added for distribution some extra files needed by CMake.
tree
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commitdiff
2010-07-29
Erik Lindahl
Reverted incorrect Makefile edit earlier today
tree
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commitdiff
2010-07-29
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-29
Rossen Apostolov
Fixed typos in previous commit.
tree
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commitdiff
2010-07-29
Berk
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-07-29
Rossen Apostolov
Added missing assembly files in nonbonded/nb_kernel_x86...
tree
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commitdiff
2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-29
Erik Lindahl
Improved chain separation detection for pdb2gmx, and...
tree
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commitdiff
2010-07-29
Berk
removed a few type casts from enxio.c
tree
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commitdiff
2010-07-29
Berk
updated genion for the new ion name convention
tree
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commitdiff
2010-07-29
Berk
changed FE couple moltype strcmp to strcasecmp
tree
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commitdiff
2010-07-29
Berk
replaced all size_t in t_enxblock by int to avoid casts
tree
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commitdiff
2010-07-29
Sander Pronk
.edr block gmxdump fixes.
tree
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commitdiff
2010-07-29
Berk
added 12-6 wall potential
tree
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commitdiff
2010-07-29
Berk
minor format fix for calcgrid.c
tree
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commitdiff
2010-07-29
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
tree
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commitdiff
2010-07-28
Roland Schulz
Added back HAVE_IO_H. Deleted by Erik's ac6f6dbf
tree
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commitdiff
2010-07-28
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
tree
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commitdiff
2010-07-28
Berk Hess
renamed pme_maxshift0/1 to pme_maxshift_x/y
tree
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commitdiff
2010-07-27
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-27
Sander Pronk
Re-added sched.h define in config.h.cmakein.
tree
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commitdiff
2010-07-27
Berk Hess
fixed PME decomposition check for inverse DD order
tree
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commitdiff
2010-07-27
Christoph Junghans
added -no-undefined to LDFLAGS of all libs
tree
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commitdiff
2010-07-27
Christoph Junghans
make --enable-power6 compile again (bug #475)
tree
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commitdiff
2010-07-27
Berk
finally a proper fix for the PME decomposition choice
tree
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commitdiff
2010-07-27
Erik Lindahl
Temporarily disabled a new pdb2gmx option
tree
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commitdiff
2010-07-27
Erik Lindahl
Modified PDB io code to merely store the chain _identif...
tree
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commitdiff
2010-07-26
Erik Lindahl
Added lots of missing cmakedefines to config.h.cmakein
tree
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commitdiff
2010-07-26
Erik Lindahl
Added lots of header cmakedefines to config.h.cmakein...
tree
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commitdiff
2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-26
Sander Pronk
Added support for Windows _fseeki64.
tree
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commitdiff
2010-07-26
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-26
Berk Hess
fixed PME communication range (no silent errors)
tree
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commitdiff
2010-07-26
Rossen Apostolov
More make distcheck fixes.
tree
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commitdiff
2010-07-26
Sander Pronk
Windows fixes.
tree
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commitdiff
2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-26
Sander Pronk
Fixed more thread_mpi installation issues.
tree
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commitdiff
2010-07-26
Rossen Apostolov
make distcheck fixes
tree
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commitdiff
2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-26
Sander Pronk
Fixed thread_mpi distribution issues.
tree
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commitdiff
2010-07-26
Erik Lindahl
pdb2gmx now applies termini to the first/last residues...
tree
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commitdiff
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