Continuing after failed geometry optimization

1

Hi,
I am trying to continue with further calculations even if a geometry optimization fails.

Below is my input file. It does work in that it runs both geometry optimizations But I would like it to read the coordinates from the first optimization as a starting point for the second.
How do I make psi4 read the coordinates from file 1 ?

Thanks,
Alberto

memory 500 mb
molecule h2o {
 0 1
    O
    H 1 1.0
    H 1 1.0 2 104.5
}
set {
    basis sto-3g
    GEOM_MAXITER 2 }

core.IOManager.shared_object().set_specific_retention(1, True)
core.IOManager.shared_object().set_specific_path(1, './')

try:
   ############################ first
   optE, optWfn = optimize('hf', return_wfn=True)
   print("after %s" % ("start"))
except ConvergenceError as cError:
   print("Convergence error caught: {0}".format(cError))

############################# second
optE, optWfn = optimize('hf', return_wfn=True)
2

This is now possible thanks to a fix implemented by Lori. here is an example.

Thanks Lori!
Alberto

try:
    optE, optWfn = optimize(optMethod, return_wfn=True)
except OptimizationConvergenceError as e:
    optWfn = e.wfn
    optE = optWfn.energy()
    clean()
    print("Geom Optimization did not converge, we are still continuing with last geometry")


set basis finalBas
#set scf guess read
finalE = energy(finalMethod, molecule=optWfn.molecule())