Space typos
Fixed a widespread typo in the license
More careful with casts, fixed windows compilation issues
Cleaning more cruft and unused variables.
A bug fix in the electric field for the new electrostatic code. Also comment fixes for Doxygen
Merged trunk changes into the development branch
Code readability updates.
Various fixes required to compile OpenMD with the MS Visual C++ compiler
Individual ForceField classes have been removed (they were essentially all duplicates anyway). ForceField has moved to brains, and since only one force field is in play at any time, the ForceFieldFactory and Register methods have been removed.
Added an adapter layer between the AtomType and the rest of the code to handle the bolt-on capabilities of new types. Fixed a long-standing bug in how storageLayout was being set to the maximum possible value. Started to add infrastructure for Polarizable and fluc-Q calculations.
Some fixes for CMake and single precision builds
updated copyright notices
Replacing most of the C-code with C++ code, and migrating the config.h file into the PROJECT_BINARY_DIR so that we can have multiple builds on the same architecture.
fixing the build system
updating gengetopt runs
changes for cell linked lists
Creating busticated version of OpenMD
Adding property set to svn entries
Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
use the viscoConvert in OOPSEConstant
Removed older version of openbabel from our code. We now have a configure check to see if openbabel is installed and then we link to the stuff we need. Conversion to OOPSE's md format is handled by only one application (atom2md), so most of the work went on there. ElementsTable still needs some work to function in parallel.
Changes to do hydrodynamics modeling and to explain a diff file
Bug fixes for non-declared objects
removed extra file in Hydro.cpp
Massive changes for GB code with multiple ellipsoid types (a la Cleaver's paper). Also, changes in hydrodynamics code to make HydroProp a somewhat smarter class (rather than just a struct).
Fix a type promotion problem
replace double with RealType
fixes for Hydrodynamics
Adding single precision capabilities to c++ side
*** empty log message ***
adding a gay-berne switch to Dump2XYZ
Using OpenBabel element table to pick vdw radii for hydrodynamics if the LJ sigma can't be found.
Adding spherical boundary conditions to LD integrator
Added EAM atom types to Hydro models
Many performance improvements
(1) RoughShell Model is working; (20)Adding a new option into Hydro which allows user to generate the beads only
update writeBeads method
fix a bug in calculating hydrodynamics tensor when the radius of beads are not the same
Fix a bug in friction calculation for ellipsoid
Verify the correctness of Ellipsoid's hydrodynamics properties
New version of Hydro is working now.
refactor Hydrodynamics module.
LagevinDynamics is working?
fixed a const problem
unit conversion for diffusion tensor is wrong
change the epsilon of numeric_limit
correcting the unit in HydrodynamicsModel
Adding RoughShell and BeadModel
adding hydrodynamics module into build system
LangevinDynamics in progress
fix bugs in HydrodynamicsModel; (1) sign issue of Xirr calculation (2) out product of Rij
Bead Model is working
Adding Hydrodynamics Module