../
|
UseTheForce/
|
3286
(16 years ago)
by cpuglis:
Many fixes for Charmm-type torsions.
|
antlr/
|
2970
(18 years ago)
by gezelter:
starting change of file formats
|
applications/
|
3311
(16 years ago)
by xsun:
Changes to do hydrodynamics modeling and to explain a diff file
|
brains/
|
3163
(17 years ago)
by chuckv:
more changes to MnM.
|
constraints/
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
hydrodynamics/
|
3249
(16 years ago)
by xsun:
Fixed some temperature and conversion constant bugs in Sphere and Ellipsoid
|
integrators/
|
3295
(16 years ago)
by cpuglis:
does ifdef check for computational geometry packages
|
io/
|
3286
(16 years ago)
by cpuglis:
Many fixes for Charmm-type torsions.
|
lattice/
|
3050
(17 years ago)
by gezelter:
bugfixing shapedLattice to have crystal origin at one of the occupied
lattice sites
|
math/
|
3294
(16 years ago)
by chuckv:
Fixed nesting bug in USE_CGAL and USE_QHULL.
|
mdParser/
|
2982
(18 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
|
minimizers/
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
openbabel/
|
3060
(17 years ago)
by gezelter:
fixes for open babel
|
primitives/
|
3126
(17 years ago)
by gezelter:
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
|
profiling/
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
restraints/
|
3129
(17 years ago)
by chrisfen:
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
|
selection/
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
types/
|
3286
(16 years ago)
by cpuglis:
Many fixes for Charmm-type torsions.
|
utils/
|
3036
(17 years ago)
by gezelter:
fixing bugs in randomBuilder
|
visitors/
|
3116
(17 years ago)
by chuckv:
Support for printPosOnly in Dump2XYZ.
|
config.h.in
|
3289
(16 years ago)
by chuckv:
Added CGAL and qhull defines
|