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
/
force.c
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
blob
|
commitdiff
|
raw
2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-18
Erik Lindahl
Fix to write GB and surface energy to separate terms...
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
2010-08-10
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-09
Teemu Murtola
Fixes for PME-User-Switch.
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
2010-07-15
David van der Spoel
Fixed compilation issue corresponding to bug 468
blob
|
commitdiff
|
raw
|
diff to current
2010-07-12
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-12
David van der Spoel
Added initialization of pbc struct in genborn.c.
blob
|
commitdiff
|
raw
|
diff to current
2010-07-10
Michael Shirts
Fixed minor formatting conflict.
blob
|
commitdiff
|
raw
|
diff to current
2010-07-09
David van der Spoel
Added initialization of pbc structure before calc_gb_fo...
blob
|
commitdiff
|
raw
|
diff to current
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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
2010-05-07
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
2010-04-27
Berk Hess
resolved merge conflicts
blob
|
commitdiff
|
raw
|
diff to current
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
blob
|
commitdiff
|
raw
|
diff to current
2010-01-26
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-26
Per Larsson
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-26
Per Larsson
Simplified neighborlist setup with GB and enroute to...
blob
|
commitdiff
|
raw
|
diff to current
2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-07
Berk
moved cmap_grid from mtop to ffparams and idef
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
2010-01-04
Michael Shirts
No longer need to specify fep-lambda every time --...
blob
|
commitdiff
|
raw
|
diff to current
2010-01-02
Michael Shirts
Revision of handling of foreign lambda bonds.
blob
|
commitdiff
|
raw
|
diff to current
2010-01-01
Michael Shirts
Fix for nonbondeds.
blob
|
commitdiff
|
raw
|
diff to current
2010-01-01
Michael Shirts
Latest revision of free energy changes.
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
2009-12-19
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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
2009-12-15
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
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
2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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
2009-10-25
Michael Shirts
Made changes suggested by Berk.
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
2009-10-08
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-10-08
Berk Hess
split force.c into forcerec.c and force.c and added...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-26
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-25
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-24
Berk Hess
fixed incorrect #ifdef which did not allow vaccuum...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-18
Michael Shirts
A number of changes to try to rationalize constraints...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-12
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-09
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-09
Erik Lindahl
New all-vs-all loops and working SSE gb kernels+radii...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-07
Roland Schulz
renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-31
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-30
kasson
Tool merge
blob
|
commitdiff
|
raw
|
diff to current
2009-08-30
Erik Lindahl
Initial all-vs-all kernels. Single precision SSE working.
blob
|
commitdiff
|
raw
|
diff to current
2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-25
Berk Hess
removed erronous contribution of electric fields to...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-19
Sander Pronk
Ewald now thread-safe (and fails in the same binary...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-11
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-06
Berk Hess
removed dhdl_lr from forcerec, no longer needed with...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-04
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-03
Berk Hess
changed the twin-range integrator to a symplectic Trott...
blob
|
commitdiff
|
raw
|
diff to current
2009-07-29
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-07-28
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-07-28
Berk Hess
fixed incorrect dHdl output for bondeds, introduced...
blob
|
commitdiff
|
raw
|
diff to current
2009-07-14
Berk Hess
added mdp parameters nstcalcenergy and rlistlong and...
blob
|
commitdiff
|
raw
|
diff to current
2009-07-10
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-07-06
Sander Pronk
more const-correctness fixes
blob
|
commitdiff
|
raw
|
diff to current
2009-07-05
Erik Lindahl
Added separate gb_epsilon to nonbonded kernels
blob
|
commitdiff
|
raw
|
diff to current
2009-06-30
Sander Pronk
added output_env_t type for querying time scales, and...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-26
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-06-26
Berk Hess
moved the force wallcycle_stop from do_forcelowlevel...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-24
Sander Pronk
Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-24
Sander Pronk
Many thread-safety fixes in mdlib; better error reporti...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-22
Berk Hess
added the repulsion power to the tpr file and added...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-18
Sander Pronk
Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-18
Berk Hess
removed static variables and rearranged some data struc...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-15
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-06-15
Berk Hess
changed the global cginfo array to an array per molecul...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-01
hess
implemented the PP PME communication for 2D PME
blob
|
commitdiff
|
raw
|
diff to current
2009-05-26
hess
fixed missing realloc for fr->cg_cm when init_forcerec...
blob
|
commitdiff
|
raw
|
diff to current
2009-05-26
hess
fixed missing realloc for fr->cg_cm when init_forcerec...
blob
|
commitdiff
|
raw
|
diff to current
2009-05-05
hess
fixed segv for systems with only tabulated interactions...
blob
|
commitdiff
|
raw
|
diff to current
2009-05-05
hess
fixed segv for systems with only tabulated interactions...
blob
|
commitdiff
|
raw
|
diff to current
2009-04-30
per
Bugfix
blob
|
commitdiff
|
raw
|
diff to current
2009-04-30
per
Bugfix
blob
|
commitdiff
|
raw
|
diff to current
2009-04-30
per
Moved Born radii calculation back again
blob
|
commitdiff
|
raw
|
diff to current
2009-04-29
per
Moved some gb stuff out from the ewcFORCE counter
blob
|
commitdiff
|
raw
|
diff to current
next