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Many fixes for Charmm-type torsions.
Added volume calculation for hull.
Changes to Build system.
Pos copied into a malloc array now.
Fixed more bugs and removed more CGAL.
Removed CGAL from makefile.
Removed CGAL from OOPSE and replaced it with qhull.
fixed a configuration error
Added preliminary support for CGAL and computation of convex hull.
fixing bond order parameter code
Bugfixes in BondOrderParameter and SphericalHarmonic
added SphericalHarmonics, fixed a few problems with BondOrderParameter
Added utility function to winger3jm from slatac.
Added support for Winger3jm coefficients.
Adding single precision capabilities to c++ side
Getting fortran side prepped for single precision...
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The off diagnal is not set
refactor Hydrodynamics module.
LagevinDynamics is working?
adding Cholesky Decomposition
LangevinDynamics in progress
Adding Hydrodynamics Module
fixed a problem with cutoff radii being set larger than 1/2 the length of the shortest box dimension. added a few fortran utility routines
fix a bug in converting integer to double
adding transpose into SquareMatrix3; fix a bug in AtomStamp where orientation is not set correctly.
Fixing some compile-time warnings and bugs for icc 9.1 on Mac OS X
Adding :LegendrePolynomial
made some minor changes to allow compilation with the portland group compilers
OptionSectionParser get compiled
using epsilon instead of 0.0 to avoid divergence in rotation matrix to quaternion transformation
fix a bug in convert rotation matrix to quaternion
added error function
replace c++ style comment in c files
Fixed build issues under ifc7.
Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...
xemacs has been drafted to perform our indentation services
fix a bug in converting rotation matrix to quaternion
Fixing a bug in BitSet.cpp
adding base class of Random Number generator
info_ in Velocitizer is not initialized which causes a seg fault
remove default parameter from MersenneTwister.hpp which causes all kinds of trouble. Refactory random number generator
replace SPRNG by MTRand
fix compilation problem for g++ 3.4
adding OOPSERandNumGen
Making small modifications to allow for use on MPI machines
adding MersenneTwister random number generator
Adding a modified version of MersenneTwister.hpp
(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
port to SGI platform
merging new_design branch into OOPSE-2.0
still debugging
define name collision
add getArray function to RectMatrix and Vector classes
more work in Snapshot
Snapshot and SnapshotManager in progress
Math library pass the unit test
except diagonalize(), all of functions in math library pass the test
more bugs get fixed at math library
more bugs are fixed in Vector class
implement more test cases
more tests on math library
fix some bugs in Quaternion class
Your basic run of the mill real-valued versions of Y_l^m(\theta, \phi)
Working on getting Shapes into OOPSE
math library in progress
add quaternion class
fix incompatible declaration in jacobi
math library in progress
Matrix in progress, test in isOrthogonal of SquareMatrix is failed by some reasons
adding RectMatrix
refactory vector and matrix classes
Remove some Makefile.in
add Vector3d.hpp and Matrix3x3d.hpp
move mpiSimulation_module to DarkSide
define DEV_ROOT as relative path
change Makefile to relative path
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change the #include in source files
Import of OOPSE v. 2.0