initial implementation of the proper algorithm. Of course it is not
working, but the shell is there.
fixed some issues. Getting there.. working on flatness.
Normalized DOS for each cycle. Current version works quite well, but
automatation in f iteration is missing. I do see the flatness trend.
End result is a bit jagged because obviously the f stages are not
equally long.
added a custom reuction function
fixes to bin size. Included max energy in second last bin and rescaled.
added kmc outputpath to ignis mainmesh.
added safeguards to max energy check and added workaround for visit bins with zero energy levels inside them.
Merge branch 'WLMC' of github.com:jorgehog/kMC into WLMC
flatness is now estimated in a better way
fixed two bugs: Missing double count of binding energies and a -1 too
much in the calculation of available sites.
Issue: after a while, all proposed moves are somehow not happening and
the visit histogram is unchanged.
fixed a bug where a bin outside the histogram was selected. Need to
implement adaptive windows, and an adaptive algorithm for bin sizes,
this is terrible to need to fix beforehand... smoothness criteria
perhaps?
code restructured, nothing changed.
got a little closer on implementing arbitraty rotations.
let's put this on ice.
added sphericalEdgeBoundary class
ranges of the spherical boundary condition is now properly implemented.
TODO: recognize particles outside range.
config changes
Initial implementation on spherical boundary conditions complete.
berg effect observed in center crystal