Error in ForceBalance documentation
Posted: Thu May 30, 2019 11:23 am
Hi,
The manual states the following:
ATTENUATE (Bool)
One-line description : Normalize interaction energies using 1/(denom**2 + reference**2) only for repulsive interactions greater than denom.
The code instead says:
elif self.attenuate:
if Reference_ < Denom_:
Divisor_ = Denom_
else:
Divisor_ = np.sqrt(Denom_**2 + (Reference_-Denom_)**2)
So there should be 1/(denom**2 + (reference - denom)**2) in the manual.
Best,
KP
The manual states the following:
ATTENUATE (Bool)
One-line description : Normalize interaction energies using 1/(denom**2 + reference**2) only for repulsive interactions greater than denom.
The code instead says:
elif self.attenuate:
if Reference_ < Denom_:
Divisor_ = Denom_
else:
Divisor_ = np.sqrt(Denom_**2 + (Reference_-Denom_)**2)
So there should be 1/(denom**2 + (reference - denom)**2) in the manual.
Best,
KP