Parameters: |
- link_out : string
Link to output hdf5, obj or yml data file
- vector_atoms : list
List of two atom ids to define the molecule vector
- bin_num : integer, optional
Number of bins to be used
- normals : dictionary, optional
Dictionary defining surface normal vector functions of the interior
in and exterior ex surcace - {“in”: def normal_in(pos): return …, …}
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