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Removed gcc 4.1.x check as bug 431 turned out to be in GB
[alexxy/gromacs.git]
/
include
/
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
fixed linking of inputrec.h
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commitdiff
2010-08-02
Erik Lindahl
Fixed error in (unused) SSE2 double precision inline...
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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
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-08-01
David van der Spoel
Moved pdb2top.h from src/kernel to include to allow...
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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...
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commitdiff
2010-07-30
Berk
added mdp parameters nsttcouple and nstpcouple
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commitdiff
2010-07-30
Christoph Junghans
removed old motif stuff from statutil.h
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commitdiff
2010-07-30
Christoph Junghans
remove some deprecated headers, which are not used...
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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
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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
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-30
Berk
commented out nthreads and threadid in t_commrec to...
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commitdiff
2010-07-29
Rossen Apostolov
Removed OpenMM interface from autoconf, use CMake inste...
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commitdiff
2010-07-29
Erik Lindahl
Worked around cross-inclusion problem between grompp...
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commitdiff
2010-07-29
Erik Lindahl
Removed deprecated nsb.h header
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commitdiff
2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-29
Berk
replaced all size_t in t_enxblock by int to avoid casts
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commitdiff
2010-07-29
Berk
added 12-6 wall potential
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commitdiff
2010-07-29
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
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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
Christoph Junghans
fixed rest of include typos in headers
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commitdiff
2010-07-28
Berk Hess
renamed pme_maxshift0/1 to pme_maxshift_x/y
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commitdiff
2010-07-28
Christoph Junghans
fixed some include typos in headers
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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
Erik Lindahl
Added missing double prec. SSE2 header file
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commitdiff
2010-07-27
Erik Lindahl
Modified PDB io code to merely store the chain _identif...
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commitdiff
2010-07-26
Erik Lindahl
Added lots of missing cmakedefines to config.h.cmakein
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commitdiff
2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-26
Sander Pronk
Added support for Windows _fseeki64.
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commitdiff
2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-26
Sander Pronk
Fixed faulty commit.
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commitdiff
2010-07-26
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-26
Sander Pronk
Removed redundant header files from thread_mpi.
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commitdiff
2010-07-26
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-07-26
Berk Hess
added natoms_force_constr to t_forcerec
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commitdiff
2010-07-25
Erik Lindahl
Resolved merge conflict
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commitdiff
2010-07-25
Erik Lindahl
Fixed bug for small systems in all-vs-all kernels,...
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commitdiff
2010-07-25
Erik Lindahl
Added a POSIX/Windows portable way to scan directories...
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commitdiff
2010-07-24
Erik Lindahl
Second batch of file modifications to enable Amber...
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commitdiff
2010-07-24
Sander Pronk
New .edr file format: now supports blocks of arbitrary...
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commitdiff
2010-07-23
Berk
resolved an exception issue which could make PME slow
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commitdiff
2010-07-23
Berk
hopefully fixed the genborn allocation issue
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commitdiff
2010-07-22
Christoph Junghans
fixed some include typos in headers
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commitdiff
2010-07-22
Sander Pronk
Serialized access to FORTRAN bindings of gromacs's...
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commitdiff
2010-07-21
Sander Pronk
Removed reference to orig.h in thread_mpi Makefile.am
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commitdiff
2010-07-21
Sander Pronk
thread_mpi header files are now in sync with source...
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commitdiff
2010-07-21
Berk
corrected the order of the parallel inputrec and state...
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commitdiff
2010-07-19
Berk Hess
fixed mdrun append check when requested output file...
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commitdiff
2010-07-14
Carsten Kutzner
Fixed several minor issues in ED/flooding module
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commitdiff
2010-07-12
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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commitdiff
2010-07-10
Michael Shirts
Fixing the include file definition for trotter_update.
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commitdiff
2010-07-08
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-07
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-07
David van der Spoel
Fixed miserable bug in commrec.h where an int array...
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commitdiff
2010-07-06
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-07-06
Berk Hess
added mdp parameter for FE dH tables
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commitdiff
2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-07-05
Sander Pronk
Added option to ingore fsync failures.
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commitdiff
2010-07-05
Berk Hess
removed a lot of slow FFT grid sizes from calc_grid...
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commitdiff
2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-07-05
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-05
Sander Pronk
Added missing include files in thread_mpi
tree
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commitdiff
2010-07-05
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-05
Sander Pronk
Fixed thread_mpi header installs.
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commitdiff
2010-07-05
Sander Pronk
Fixed header files to be able to link 3d party code...
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commitdiff
2010-07-05
Berk
fixed weak scaling performance which was hampered to...
tree
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commitdiff
2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-02
David van der Spoel
Made removing pbc non-static. This affects many analysi...
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commitdiff
2010-07-02
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-02
Rossen Apostolov
Disable AllvsAll kernels for very small systems (<...
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commitdiff
2010-07-02
Sander Pronk
SSE fix for incorrect cast; fixes bug 441.
tree
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commitdiff
2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-07-02
David van der Spoel
Fixed bug bugzilla.gromacs.org/show_bug.cgi?id=455...
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commitdiff
2010-07-01
Sander Pronk
More thread safety fixes in gmxlib.
tree
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commitdiff
2010-06-30
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-06-29
Sander Pronk
Simplified aligned mallocs and frees.
tree
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commitdiff
2010-06-29
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-06-29
Berk
fixed PME communication issues with 1xNxM DD grid
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commitdiff
2010-06-28
Berk Hess
added mdrun -cptnum option to keep and number checkpoints
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commitdiff
2010-06-28
Teemu Murtola
Removed unnecessary typecasts from smalloc.h.
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commitdiff
2010-06-28
Berk Hess
added back const to gmx_sort compare params for qsort...
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commitdiff
2010-06-27
David van der Spoel
Added missing argument step to trotter_update. How...
tree
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commitdiff
2010-06-27
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-06-27
David van der Spoel
Fixed many issues regarding to compilation with C+...
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commitdiff
2010-06-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-24
Berk Hess
removed obsolete fftgrid code and disabled PPPM with...
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commitdiff
2010-06-24
Sander Pronk
XDR file I/O is now thread safe.
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commitdiff
2010-06-24
Berk Hess
fixed smalloc.h and smalloc.c definition inconsistencies
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commitdiff
2010-06-24
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-24
Mark Abraham
Added snew_aligned and sfree_aligned for managing n...
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commitdiff
2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
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commitdiff
2010-06-23
Berk Hess
removed statusio.h
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commitdiff
2010-06-22
Berk Hess
corrected edr format issue introduced today
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commitdiff
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