Fixed a widespread typo in the license
Unified the computation of storageLayout into SimCreator, but that value is stored in SimInfo. We used to compute storageLayout values in two places - now only one.
Merging trunk changes 1812:1830 into development branch.
Windows compilation fixes
Cleaning more cruft and unused variables.
MERGE OpenMD trunk changes 1803:1811 into development branch
Merged trunk changes into the development branch
Massive multipole rewrite
Various fixes required to compile OpenMD with the MS Visual C++ compiler
Refactored Snapshot and Stats to use the Accumulator classes. Collected a number of methods into Thermo that belonged there.
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.
Fixes for compilation under LLVM compiler Bug-fix for switching function in Gay-Berne
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
cleaning up the development branch a bit, removing cruft, etc.
Merging changes from old branch into development branch
migrating cutoff information from InteractionManager to ForceManager
Well, it compiles and builds, but still has a bus error at runtime.
Creating busticated version of OpenMD
removing cruft (atom numbers, do_pot, do_stress) from many modules and force managers
Adding property set to svn entries
Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
missing energyConvert in kinetic energy
General bug-fixes and other changes to make particle pots work with the Helfand Energy correlation function
Fixed a bug in BlockSnapshotManager.
Added back correct form, still not updating frames.
More changes, still broken.
Files for Hefland moment.
Checking in changes for Hefland moment calculations
fixed a few correlation functions
Added: Action Correlation function (for viscosity), Directional RCorr (for non-spherical bodies) Modified: LCorr (for multiple axes)
Added thetacorr functions to dynamic props.
Changes to add thetacorr to dynamic props and fixes to radial rcorr.
Remove snapshotcentroid from makefile.
Removeing snapshot centroid and adding support for COM calculaton from snapshot.
Adding the ability to compute Center of Mass properties on reading in a dump file. DumpReader must be told if it needs to do this, however.
Code to run radial rcorr.
Adding support for radial rcorr.
Changing utility programs to use the new file format
Adding single precision capabilities to c++ side
Fix the normalization problem in calculating correlation functions
back to previous DynamicProps
Adding position correlation function. The command line option for DynamicProps is now changed. --rcorr is for position correlation and --rmsd is for mean square displacement.
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Fixing a bug which reads the wrong frame of trajectory file during analysis
Adding :LegendrePolynomial
xemacs has been drafted to perform our indentation services
avoid building parallel executable for dump2XYZ, simpleBuilder, staticProps and dynamicProps
adding LipidTransVisitor, GofXyz is working now
change the suffix of output files;fix the problem of counting in staticProps
BlockSnapshotManager is using reference counting now
begin bug fix
refactory CorrelationFunction
bug fix and start of switch for type of correlation function
more fix
fixed a bug in CorrelationFunction
maximum length defaults to the cutoff radius
dynamicProps get built
dynamicProps in progress
more work in dynamicProps
adding dynamicProps
adding command line option to DynamicProps
adding command line option for DynamicProps
adding dynamicProps