Skip to content
Snippets Groups Projects
Commit f45ec3be authored by cmaffeo2's avatar cmaffeo2
Browse files

Fixed sign error in geometric term for HarmonicBond

parent 2300c876
No related branches found
No related tags found
No related merge requests found
...@@ -156,7 +156,7 @@ class HarmonicBond(HarmonicPotential): ...@@ -156,7 +156,7 @@ class HarmonicBond(HarmonicPotential):
with np.errstate(divide='ignore',invalid='ignore'): with np.errstate(divide='ignore',invalid='ignore'):
du = 2*0.58622592*np.log(dr+self.r0) * self.temperature/295 du = 2*0.58622592*np.log(dr+self.r0) * self.temperature/295
du[np.logical_not(np.isfinite(du))] = 0 du[np.logical_not(np.isfinite(du))] = 0
u = u-du u = u+du
return u return u
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment