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Published 20 hours ago • verified publisher icon msmbuilder

Bug in BACE_Coarse_Graining.py?

Open rosmarin opened this issue 9 years ago • 0 comments

In the line 386 of this script, 'row[s] = 0', this simply changes the element the matrix c as well. It will lead to this self-transition counts missing in the merging states. I don't know whether it is a bug or it has been coded on purpose.

rosmarin avatar Oct 21 '14 21:10 rosmarin