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.
Adding single precision capabilities to c++ side
Adding spherical boundary conditions to LD integrator
using setFrc in RigidBody::calcForcesAndTorques will discard if there are force and torque applied in rigid body itself. use addFrc instead.
fixed a bug in rigid bodies that contain directional atoms
End of the Link --> List Return of the Oject-Oriented replace yacc/lex parser with antlr parser
OptionSectionParser get compiled
streamlined reaction field for dipoles (now a good bit faster) and added reaction field for charges - still need to do charge-dipole RF
Fix the other branch of force calculation in Torision.cpp
Don't remember what we did
There is still something wrong with inertia tensor projection
erase output of inertia tensor. There is still something wrong with current implementation.
fix a bug in creating cutoffGroup. When cutoffGroup is turned off, there is a mismatch between group and center of mass array
fix a bug in projecting the inertia tensor of directional atom in rigibody into rigidbody's body frame (previous commit is wrong)
fix a bug in projecting the inertia tensor of directional atom in rigibody into rigidbody's body frame
Rotation matrix multiplication order error
putting spaceballs back where they belong
xemacs has been drafted to perform our indentation services
fix some warning messages
more memory leak are fixed
adding exclude pairs for rigidbody and cutoff group
Fixing a bug in BitSet.cpp
reactionfield get fixed
Fix for compilation on the Sun
begin bug fix
adding dynamicProps
add getRigidBodyAt function into Molecule class
adding missing implementation
adding wildcard class; NameFinder is finished
(1)Cast wrong atom to DirectionalAtom in GhostTorsion (2)get the wrong column of electroframe
(1) complete section parser's error message (2) add GhostTorsion (3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
moved Package variable into subdirectory makefiles to speed up the building process
fix a bug in global index
port to SGI platform
merging new_design branch into OOPSE-2.0
isLinear and linearAxis are virtual in StuntDouble, but are implemented by DirectionalAtom and RigidBody In StuntDouble, they should return false and "-1" but there should be logic to figure them out in the other two classes
Shapes looks like it's working
replace old GebericData with new GenericData
change #include "mpi.h" to #include <mpi.h> in AbstractClasses.hpp
define DEV_ROOT as relative path
change Makefile to relative path
change the #include in source files
Import of OOPSE v. 2.0