Closed leeping closed 1 year ago
Fixed remove micro-iteration folder feature. The previous code never worked.
It never worked for me either, Trevor suggested this workaround to me using glob to get the folders and this works, it goes here if this feature is still of interest to anyone, https://github.com/leeping/forcebalance/blob/master/src/optimizer.py#L889
if not self.retain_micro_outputs:
for microo in glob.glob("**/micro_*", recursive=True):
shutil.rmtree(microo)
Ahh sorry, I see that you already made required changes, please ignore the previous comment.
In
forcefield.py
:CopyAmoebaVdwParameters
such that type parameters and type pair parameters are copied.<Angle .../>
inAmoebaOutOfPlaneBendForce
In
objective.py
:In
studies
:TODO:
make-vdata.py
.