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mute neighbour cut off mapping for now
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MBueschelberger committed Sep 14, 2023
1 parent 6ab9764 commit ac28089
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions osp/tools/mapping_functions.py
Original file line number Diff line number Diff line change
Expand Up @@ -537,8 +537,8 @@ def map_PLAMSSettings(workdir: str, root_cuds_object: Cuds) -> PlamsSettings:
syntactic_settings.input.AMS.PESExploration.RandomSeed = \
map_generic_setting(emmo.RandomSeed, root_cuds_object)

syntactic_settings.input.AMS.PESExploration.BindingSites.NeighborCutoff = \
map_generic_setting(emmo.NeighborCutoff, root_cuds_object)
# syntactic_settings.input.AMS.PESExploration.BindingSites.NeighborCutoff = \
# map_generic_setting(emmo.NeighborCutoff, root_cuds_object)

elif semantic_settings['Calculation'] == 'BindingSites':
previous = root_cuds_object.get(rel=emmo.hasSpatialNext.inverse).pop()
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