 ../
|
UseTheForce/
|
1486
(14 years ago)
by gezelter:
simple fix for calls to getCharge for non-charge atoms (triggered by
shifted pot / shifted force computations of self-self interactions
with out point charges on topologically connected molecules).
|
|
antlr/
|
1442
(15 years ago)
by gezelter:
Adding property set to svn entries
|
|
applications/
|
1474
(14 years ago)
by gezelter:
added visitors
|
|
brains/
|
1464
(14 years ago)
by gezelter:
removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers
|
|
constraints/
|
1464
(14 years ago)
by gezelter:
removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers
|
|
hydrodynamics/
|
1442
(15 years ago)
by gezelter:
Adding property set to svn entries
|
|
integrators/
|
1497
(14 years ago)
by gezelter:
fixed a bug where chi value wasn't being set in calcConservedQuantity. I'm not
100% sure we actually need this routine here in NPTxyz (instead of inheriting
from NPTf), but if it is here, the variables need to be set...
|
|
interactions/
|
1413
(15 years ago)
by gezelter:
Adding a progress bar, and pAngle staticProps
|
|
io/
|
1459
(14 years ago)
by gezelter:
Fixed a potentially serious bug in GhostBend and GhostTorsion. We
were using A instead of A.transpose() where we need lab-frame
coordinates of the body-fixed axis.
|
|
lattice/
|
1442
(15 years ago)
by gezelter:
Adding property set to svn entries
|
|
math/
|
1442
(15 years ago)
by gezelter:
Adding property set to svn entries
|
|
mdParser/
|
1442
(15 years ago)
by gezelter:
Adding property set to svn entries
|
|
minimizers/
|
1464
(14 years ago)
by gezelter:
removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers
|
|
primitives/
|
1459
(14 years ago)
by gezelter:
Fixed a potentially serious bug in GhostBend and GhostTorsion. We
were using A instead of A.transpose() where we need lab-frame
coordinates of the body-fixed axis.
|
|
profiling/
|
1442
(15 years ago)
by gezelter:
Adding property set to svn entries
|
|
restraints/
|
1464
(14 years ago)
by gezelter:
removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers
|
|
selection/
|
1442
(15 years ago)
by gezelter:
Adding property set to svn entries
|
|
types/
|
1488
(14 years ago)
by gezelter:
fixed a sign error
|
|
utils/
|
1477
(14 years ago)
by jmarr:
added a gcc4.4 compatibility
|
|
visitors/
|
1474
(14 years ago)
by gezelter:
added visitors
|
config.h.in
|
1461
(14 years ago)
by gezelter:
Added svn revision number to build process, incremented minor version
number, corrected a minimizer keyword
|
