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@jennyfothergill jennyfothergill released this 10 May 19:55
v0.1.0
7a13b82
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Learn about vigilant mode.
  • Updated the format used to specify a mapping
  • Coarse-graining functions save all information needed for backmapping
  • Backmapping function only requires a CG_Compound instance
  • Backmapping logic simplified -- no distance based criteria
  • Atomistic structure from backmap is rotated slightly to help bonding
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