Fixed a bunch of cppcheck warnings.
Bugs in the FQ samples, fixed for Dump2XYZ to print out charges and electric fields
Fixed a widespread typo in the license
Merged trunk changes into the development branch
Code readability updates.
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.
fixed an initialization bug in Dump2XYZ
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
Merging changes from old branch into development branch
Creating busticated version of OpenMD
removing cruft (atom numbers, do_pot, do_stress) from many modules and force managers
more changes to make Dump2XYZ do velocities & forces
Updating visitor architecture to something a bit more modern
Adding property set to svn entries
Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
Fixes for Inversions for use with Amber
fixed a spurious visitor deletion
Many fixes
Added a few visitors
Added printPosOnly to Dump2XYZ as a userbase(BETH) request.
Changing utility programs to use the new file format
wrapping back to PBC by molecule instead of by individual atom
adding a gay-berne switch to Dump2XYZ
Adding visitor for GBlipid atom type
adding AtomNameVisitor to convert atom name to its base name; wrappingvisitor now wrap back to the center of the mass; adding P2OrderParameter into StaticProps
Couple of changes for TAP water. Need to parametrize.
xemacs has been drafted to perform our indentation services
forget to delete prepareVisitor in Dump2XYZ
avoid building parallel executable for dump2XYZ, simpleBuilder, staticProps and dynamicProps
fix compilation issue
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
adding MersenneTwister random number generator
adding LipidTransVisitor, GofXyz is working now
dynamicProps get built
update help info
update help info for Dump2XYZ
remove SelectionVisitor
dump2Xyz now take advantage of selection library
(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
minor fix
merging new_design branch into OOPSE-2.0
Added the linear visitor
define DEV_ROOT as relative path
change Makefile to relative path
change directory structure of application. Every executable file is replaced in seperate directory