RDF was calculated by shielding three adjacent beads within the same chain #4711
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Dear experts: # 函数3-计算RDF
def compute_rdf(atom1, atom2):
"""
计算两个原子组之间的RDF
"""
rdf = InterRDF(atom1, atom2, nbins=200, range=(0.0,30), exclusion_block=(2, 2))
rdf.run()
return rdf.results.bins, rdf.results.rdf |
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Answered by
orbeckst
Sep 27, 2024
Replies: 1 comment 2 replies
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Is this question related to #4716 ? |
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2 replies
Answer selected by
yingyingwukim
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Is this question related to #4716 ?