Several fixes
Fixes and changes:
- make
fold()
private - move f90 fold kernel to top of module
- no need to pass
self.n
around - default imports in
__init__.py
via all - spell particle
orientation
notorient
- fix dimensionality in
fold()
- provide a default neighbor list
- fix
box
bug: passcell.side
instead ofcell.volume
to neighbors.compute()
Add:
- first instance of documentation under
/docs/
Comments:
- There is currently an overhead when calling
jit()
repeatedly, so I moved the compilation to the top and now the f90 fold method is faster.