Added bookeeping to add static electric fields and to zero them out when necessary.
A bug fix in the electric field for the new electrostatic code. Also comment fixes for Doxygen
Massive multipole rewrite
Added ability to read / write dump files with fluctuating charges and electric fields.
Some fixes for DataStorage issues. Removed outdated zangle stuff that has been replaced by the more modern restraints.
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.
Un-did some changes that weren't ready to be committed.
Added files for fcc and pentagonal nanorod builders. Updated runMe in samples/builders to include nanorod builders.
updated copyright notices
Splitting out ifstrstream into a header and an implementation. This means that much of the code that depends on it can be compiled only once and the parallel I/O is concentrated into a few files. To do this, a number of files that relied on basic_ifstrstream to load the mpi header had to be modified to manage their own headers.
changes for new parallel architecture
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)
Added new restraint infrastructure Added MolecularRestraints Added ObjectRestraints Added RestraintStamp Updated thermodynamic integration to use ObjectRestraints Added Quaternion mathematics for twist swing decompositions Significantly updated RestWriter and RestReader to use dump-like files Added selections for x, y, and z coordinates of atoms Removed monolithic Restraints class Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody Added some rotational capabilities to prinicpalAxisCalculator
many changes to keep track of particle potentials for both bonded and non-bonded interactions
Checking in changes for Hefland moment calculations
Changes to add thetacorr to dynamic props and fixes to radial rcorr.
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
putting spaceballs back where they belong
xemacs has been drafted to perform our indentation services
begin bug fix
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 the #include in source files
Import of OOPSE v. 2.0
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