 ../
|
visitors/
|
1474
(14 years ago)
by gezelter:
added visitors
|
|
utils/
|
1610
(13 years ago)
by gezelter:
Fixed a clang compilation problem, added the ability to output
particle potential in the dump files.
|
|
types/
|
1689
(13 years ago)
by gezelter:
Bug fixes for GB. Now using strength parameter mixing ideas from Wu
et al. [J. Chem. Phys. 135, 155104 (2011)]. This helps get the
dissimilar particle mixing behavior to be the same whichever order the
two particles come in. This does require that the force field file to
specify explicitly the values for epsilon in the cross (X), side-by-side (S),
and end-to-end (E) configurations.
|
|
selection/
|
1523
(14 years ago)
by kstocke1:
added hull token
|
|
restraints/
|
1464
(14 years ago)
by gezelter:
removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers
|
|
profiling/
|
1442
(15 years ago)
by gezelter:
Adding property set to svn entries
|
|
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.
|
|
minimizers/
|
1464
(14 years ago)
by gezelter:
removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers
|
|
mdParser/
|
1558
(14 years ago)
by gezelter:
Updated antlr, some minor formatting changes
|
|
math/
|
1687
(13 years ago)
by gezelter:
Fixes for LLVM compilation
Bug fix for Gay Berne potential with switching functions
|
|
lattice/
|
1442
(15 years ago)
by gezelter:
Adding property set to svn entries
|
|
io/
|
1698
(13 years ago)
by skuang:
new variables for vss-rnemd
|
|
interactions/
|
1413
(15 years ago)
by gezelter:
Adding a progress bar, and pAngle staticProps
|
|
integrators/
|
1697
(13 years ago)
by skuang:
vss-rnemd
|
|
hydrodynamics/
|
1442
(15 years ago)
by gezelter:
Adding property set to svn entries
|
|
constraints/
|
1464
(14 years ago)
by gezelter:
removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers
|
|
brains/
|
1667
(13 years ago)
by chuckv:
Fixed typo in thermo.
|
|
applications/
|
1693
(13 years ago)
by gezelter:
Fixing a compilation warning for CLANG compiler
|
|
antlr/
|
1610
(13 years ago)
by gezelter:
Fixed a clang compilation problem, added the ability to output
particle potential in the dump files.
|
|
UseTheForce/
|
1689
(13 years ago)
by gezelter:
Bug fixes for GB. Now using strength parameter mixing ideas from Wu
et al. [J. Chem. Phys. 135, 155104 (2011)]. This helps get the
dissimilar particle mixing behavior to be the same whichever order the
two particles come in. This does require that the force field file to
specify explicitly the values for epsilon in the cross (X), side-by-side (S),
and end-to-end (E) configurations.
|
config.h.in
|
1561
(14 years ago)
by gezelter:
replaced debugging statements with calls to simError()
code reformatting for readability
|
