Sample._sample_helper¶

Sample._sample_helper(frame_list, shift, is_pbc, is_broken)¶

Helper function for sampling run.

Parameters:

frame_list :: List of frame ids to process
shiftlist: Vector for translating atoms in nm
is_pbcbool: True to apply periodic boundary conditions
is_brokenbool: True to check for broken molecules during sampling

Returns:

outputdictionary: Dictionary containing all sampled data