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multioptpy/ModelFunction/binary_image_ts_search_model_function.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -9,8 +9,8 @@ def __init__(self, geom_num_list_1, geom_num_list_2):
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self.alpha = 10.0
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# self.beta controls the strength of the distance constraint.
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# Smaller beta -> Larger kappa_d -> Stronger attractive force.
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# Default: 0.1 -> Modified: 0.06 for stronger constraint.
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self.beta = 0.06
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# Default: 0.1 -> Modified: 0.02 for stronger constraint.
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self.beta = 0.02
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# Initial distance
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diff = geom_num_list_1 - geom_num_list_2

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