biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
src
/
mdlib
/
pme.c
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
blob
|
commitdiff
|
raw
2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-13
hess
fixed apme bug that caused slightly incorrect results...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-12
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-12
Berk Hess
reverted the last, non-cosmetic change to pme.c
blob
|
commitdiff
|
raw
|
diff to current
2010-08-12
Berk Hess
minor cosmetic changes in pme.c
blob
|
commitdiff
|
raw
|
diff to current
2010-08-04
Erik Lindahl
Fixed accuracy issues in gmx_mm_log_ps(), and added...
blob
|
commitdiff
|
raw
|
diff to current
2010-07-28
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-28
Berk Hess
renamed pme_maxshift0/1 to pme_maxshift_x/y
blob
|
commitdiff
|
raw
|
diff to current
2010-07-10
Michael Shirts
Fixed minor formatting conflict.
blob
|
commitdiff
|
raw
|
diff to current
2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-02
Berk
fixed bug with PME nodes_x/y > nkx/y
blob
|
commitdiff
|
raw
|
diff to current
2010-06-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-06-21
Berk Hess
fixed typo in fatal_error call
blob
|
commitdiff
|
raw
|
diff to current
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-05-19
Teemu Murtola
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-05-18
Erik Marklund
Merge branch 'master' into hbond
blob
|
commitdiff
|
raw
|
diff to current
2010-05-18
Berk Hess
implement SSE exp calculation for solve_pme
blob
|
commitdiff
|
raw
|
diff to current
2010-05-17
Berk Hess
reordered pme_solve_yzx arguments
blob
|
commitdiff
|
raw
|
diff to current
2010-05-16
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-05-14
Berk Hess
minor pme_solve virial optimization
blob
|
commitdiff
|
raw
|
diff to current
2010-05-14
Berk Hess
fixed segv with mdrun -npme 1
blob
|
commitdiff
|
raw
|
diff to current
2010-05-10
Sander Pronk
Restored proper signal handling when PME nodes are...
blob
|
commitdiff
|
raw
|
diff to current
2010-05-08
Berk
removed superfluous lines in solve_pme
blob
|
commitdiff
|
raw
|
diff to current
2010-05-07
Sander Pronk
Fixed an uninitialized variable in pme.c (solve_pme_yzx).
blob
|
commitdiff
|
raw
|
diff to current
2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-05-07
Berk Hess
made PME energy and virial calculation optional
blob
|
commitdiff
|
raw
|
diff to current
2010-05-07
Berk Hess
Merge commit 'origin/2dpme'
blob
|
commitdiff
|
raw
|
diff to current
2010-05-07
Berk Hess
removed solve_xyz
blob
|
commitdiff
|
raw
|
diff to current
2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-04-30
Berk Hess
Merge commit 'origin/master' into 2dpme
blob
|
commitdiff
|
raw
|
diff to current
2010-04-30
Berk
fixed the pme flop counts
blob
|
commitdiff
|
raw
|
diff to current
2010-04-29
Berk Hess
Merge commit 'origin/master' into 2dpme
blob
|
commitdiff
|
raw
|
diff to current
2010-04-29
Berk Hess
changed the PME particle communication buffer region...
blob
|
commitdiff
|
raw
|
diff to current
2010-04-27
Berk Hess
resolved merge conflicts
blob
|
commitdiff
|
raw
|
diff to current
2010-04-08
Berk Hess
fixed another bug in the last pme slab fix
blob
|
commitdiff
|
raw
|
diff to current
2010-04-05
Berk
fixed a bug in the last pme slab fix
blob
|
commitdiff
|
raw
|
diff to current
2010-04-04
Berk
fixed several bugs when a particle was exaclty at a...
blob
|
commitdiff
|
raw
|
diff to current
2010-03-16
Roland Schulz
Compiles now in serial
blob
|
commitdiff
|
raw
|
diff to current
2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
blob
|
commitdiff
|
raw
|
diff to current
2010-02-24
Sander Pronk
Signal handler now listens to SIGINT (ctrl-c).
blob
|
commitdiff
|
raw
|
diff to current
2010-01-14
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2010-01-14
Berk Hess
updated the PME load estimates for 2D PME
blob
|
commitdiff
|
raw
|
diff to current
2010-01-13
Roland Schulz
Merge branch 'tmp' into 2dpme
blob
|
commitdiff
|
raw
|
diff to current
2010-01-13
Berk Hess
some more cleaning of pme.c
blob
|
commitdiff
|
raw
|
diff to current
2010-01-13
Berk Hess
cleaned up pme.c
blob
|
commitdiff
|
raw
|
diff to current
2010-01-12
Berk Hess
made pme work for any number of nodes
blob
|
commitdiff
|
raw
|
diff to current
2010-01-11
Berk Hess
made the charge spreading balanced
blob
|
commitdiff
|
raw
|
diff to current
2010-01-11
Berk Hess
fixed bug in even grid distribution
blob
|
commitdiff
|
raw
|
diff to current
2010-01-07
Berk
implemented even pme grid distribution when nk is not...
blob
|
commitdiff
|
raw
|
diff to current
2010-01-07
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2010-01-07
Berk
made 2D pme work for DD decompositions 1 ny nz
blob
|
commitdiff
|
raw
|
diff to current
2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
blob
|
commitdiff
|
raw
|
diff to current
2010-01-04
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-21
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-19
Michael Shirts
Committing to merge
blob
|
commitdiff
|
raw
|
diff to current
2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-16
Roland Schulz
Merge commit 'origin/master' into 2dpme
blob
|
commitdiff
|
raw
|
diff to current
2009-12-16
Berk Hess
clean-up of the 2d pme code
blob
|
commitdiff
|
raw
|
diff to current
2009-12-16
Berk Hess
speed up of pme x redist
blob
|
commitdiff
|
raw
|
diff to current
2009-12-16
Berk Hess
made pme spreading, gathering and solve_yzx faster
blob
|
commitdiff
|
raw
|
diff to current
2009-12-16
Berk Hess
speed-up of solve_pme_yzx
blob
|
commitdiff
|
raw
|
diff to current
2009-12-15
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-15
Berk Hess
Merge commit 'origin/master' into 2dpme
blob
|
commitdiff
|
raw
|
diff to current
2009-12-15
Berk Hess
Merge commit 'origin/master' into 2dpme
blob
|
commitdiff
|
raw
|
diff to current
2009-12-15
Berk Hess
merge with master
blob
|
commitdiff
|
raw
|
diff to current
2009-12-15
Berk Hess
merged with master
blob
|
commitdiff
|
raw
|
diff to current
2009-12-15
Berk Hess
added PME subdivision to cycle counters
blob
|
commitdiff
|
raw
|
diff to current
2009-12-09
kasson
Merge branch '2dpme' of git.gromacs.org:gromacs into...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-09
Berk Hess
fixed memory allocation issue for 2d pme code used...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-09
Berk Hess
Merge commit 'origin/master' into 2dpme
blob
|
commitdiff
|
raw
|
diff to current
2009-12-07
kasson
Merge branch '2dpme' of git.gromacs.org:gromacs into...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-07
Berk Hess
The pme grid x/y dimensions are now automatically adapt...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-04
Berk Hess
fixed the (hopefully) last bug in 2D pme
blob
|
commitdiff
|
raw
|
diff to current
2009-12-02
Berk Hess
removed the 2d pme z-overlap from the overlap communica...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-02
Berk Hess
2d pme now works, except when the number of pme nodes...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-02
Berk Hess
Merge commit 'origin/master' into 2dpme
blob
|
commitdiff
|
raw
|
diff to current
2009-12-02
Berk Hess
fixed 2 bugs in gmx_sum_qgrid_dd
blob
|
commitdiff
|
raw
|
diff to current
2009-12-01
Berk Hess
partially working 2d pme
blob
|
commitdiff
|
raw
|
diff to current
2009-12-01
Berk Hess
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-01
Berk Hess
2d pme now is correct up till solve_pme
blob
|
commitdiff
|
raw
|
diff to current
2009-12-01
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2009-11-30
Berk Hess
now 2d pme is running, but energies and forces are...
blob
|
commitdiff
|
raw
|
diff to current
2009-11-30
Erik Lindahl
removed debug print-statement
blob
|
commitdiff
|
raw
|
diff to current
2009-11-30
Erik Lindahl
Inital 2D PME decomposition changes
blob
|
commitdiff
|
raw
|
diff to current
2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-10-21
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-10-12
Sander Pronk
Cleaned up parallel detection in pme & other places.
blob
|
commitdiff
|
raw
|
diff to current
next