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Several fixes

iricci requested to merge dc_edits into master

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 not orient
  • fix dimensionality in fold()
  • provide a default neighbor list
  • fix box bug: pass cell.side instead of cell.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.

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