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Merge branch 'master' of git@git.gromacs.org:gromacs
[alexxy/gromacs.git]
/
include
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2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-06-24
Berk Hess
removed obsolete fftgrid code and disabled PPPM with...
tree
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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
2010-06-22
Sander Pronk
C90 fixes.
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commitdiff
2010-06-22
Sander Pronk
Most (if not all) file operations are now thread safe.
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commitdiff
2010-06-21
Berk Hess
add gmx_qsort routine, since glibc qsort is not threads...
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commitdiff
2010-06-18
Berk Hess
added env var GMX_MAXBACKUP
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commitdiff
2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
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commitdiff
2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-17
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-06-16
kasson
Merge branch 'mymaster'
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commitdiff
2010-06-16
Berk Hess
fixed MPI crash when nat_home=0 in DD
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commitdiff
2010-06-15
Berk Hess
allvsall loops now trigger particle decomposition
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commitdiff
2010-06-15
Berk Hess
fatal_error in the DD initialization now calls MPI_Fina...
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commitdiff
2010-06-15
Sander Pronk
Fixed return values for MPI_Comm_compare in thread_mpi.
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commitdiff
2010-06-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-06-14
Sander Pronk
Added MPI_Comm_compare() to thread_mpi.
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commitdiff
2010-06-14
Berk Hess
added -cwd option to pdb2gmx
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commitdiff
2010-06-12
Michael Shirts
Raised the NHCHAINLENGTH default to 10
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commitdiff
2010-06-12
Sander Pronk
More C90 pedantry.
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commitdiff
2010-06-12
David van der Spoel
Fixed a lot of spelling errors in comments and document...
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commitdiff
2010-06-11
Sander Pronk
Fixed another batch of // comments.
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commitdiff
2010-06-11
Sander Pronk
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-11
Berk Hess
optimized the number of threads
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commitdiff
2010-06-11
Sander Pronk
Fixed an allocation error during thread spawns.
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commitdiff
2010-06-11
Sander Pronk
x86 assembly fix in thread sync atomics.
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commitdiff
2010-06-11
Sander Pronk
Merge branch 'threadspawn'
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commitdiff
2010-06-11
Sander Pronk
Cleaned up code that determines thread number.
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commitdiff
2010-06-11
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-06-11
Sander Pronk
Number of threads is now also determined by system...
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commitdiff
2010-06-10
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-06-10
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-06-10
Berk Hess
added more explanation to idef.h
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commitdiff
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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commitdiff
2010-06-08
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-06-08
Carsten Kutzner
fixed continuation runs with essential dynamics
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commitdiff
2010-06-07
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-06-06
Sander Pronk
Previous checkpoint's won't be overwritten by newer...
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commitdiff
2010-06-04
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-06-04
Carsten Kutzner
fixed file appending for essential dynamics output...
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commitdiff
2010-06-03
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-06-03
Sander Pronk
Checkpointing is now slightly more reliably done to...
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commitdiff
2010-06-01
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-05-31
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-05-31
Sander Pronk
Removed 'inline' keyword for xlc on linux atomics.
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commitdiff
2010-05-26
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-05-21
Teemu Murtola
Selections compiler comments and debugging aids.
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commitdiff
2010-05-20
Teemu Murtola
Reduced memory usage for static selections.
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commitdiff
2010-05-19
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-05-19
Teemu Murtola
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-05-19
Teemu Murtola
Big rework of selection compilation/evaluation.
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commitdiff
2010-05-18
Erik Marklund
Merge branch 'master' into hbond
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commitdiff
2010-05-18
Berk Hess
implement SSE exp calculation for solve_pme
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commitdiff
2010-05-16
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-05-16
David van der Spoel
Fixed scattering function code in g_rdf. A new file...
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commitdiff
2010-05-16
David van der Spoel
Fixed compilation issue in geminate.c due to non-define...
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commitdiff
2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-05-13
Sander Pronk
Checkpoints now call fsync() on all open output files.
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commitdiff
2010-05-12
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-05-12
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-05-12
Sander Pronk
Now does something useful with the USR1 signal.
tree
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commitdiff
2010-05-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-05-11
Berk Hess
fixed bug in pdb2gmx hdb initialization
tree
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commitdiff
2010-05-11
Berk Hess
added proper DNA and RNA residue recognition
tree
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commitdiff
2010-05-11
Erik Marklund
Merge branch 'master' into hbond
tree
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commitdiff
2010-05-11
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-05-11
Teemu Murtola
Improved neighbor searching API for analysis.
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commitdiff
2010-05-10
Sander Pronk
Cleaned up signal handling code.
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commitdiff
2010-05-10
Sander Pronk
Restored proper signal handling when PME nodes are...
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commitdiff
2010-05-10
Roland Schulz
always define MPI_Comm, MPI_Request, MPI_Group to avoid...
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commitdiff
2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-05-07
Szilard Pall
temporary fix for compilation error with GMX_OPENMM=ON
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commitdiff
2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-05-07
Berk Hess
made PME energy and virial calculation optional
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commitdiff
2010-05-07
Berk Hess
Merge commit 'origin/2dpme'
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commitdiff
2010-05-06
Teemu Murtola
More memory optimizations for selections.
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commitdiff
2010-05-04
Berk Hess
fixed compiler warning
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commitdiff
2010-05-03
Berk Hess
added some explanation
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commitdiff
2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-04-30
Berk Hess
Merge commit 'origin/master' into 2dpme
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commitdiff
2010-04-29
Berk Hess
Merge commit 'origin/master' into 2dpme
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commitdiff
2010-04-28
Teemu Murtola
Added a few functions for freeing memory.
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commitdiff
2010-04-27
Berk Hess
resolved merge conflicts
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commitdiff
2010-04-26
Teemu Murtola
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-04-26
David van der Spoel
Made histogramming slightly more flexible. Used in...
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commitdiff
2010-04-23
Carsten Kutzner
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-04-22
Berk
some extra comments
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commitdiff
2010-04-22
Teemu Murtola
Support init_frame in static selection methods.
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commitdiff
2010-04-20
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-04-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-04-17
Peter Kasson
Fixes for Windows/ICC--typecasting
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commitdiff
2010-04-12
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-04-12
David van der Spoel
Changed the output of topology files to include the...
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