Commit 13ac2fb3 authored by cmaffeo2's avatar cmaffeo2
Browse files

Fixed spring constants in HC lattice ENRG MD

parent 6dcc8f64
......@@ -1138,8 +1138,9 @@ class atomicModel():
k = 0.1
if self.latticeType == 'honeycomb':
correctionKey = ','.join((key,n1,n2))
assert(correctionKey in enmCorrectionsHC)
dk,dr = enmCorrectionsHC[correctionKey]
k += float(dk)
k = float(dk)
d += float(dr)
i += nt1.firstAtomicIndex
......
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment