Dear Developers,

I was running two simple calculations of He and H2 and got two wave functions (wfn & wfn1). After that, I used wfn.form_H() and wfn1.form_H(). But this will change the wfn1.H().np which does make sense to me. Is there any thing I accidentally ignored? Thank you.

import psi4

mol1 = psi4.geometry("""

He

symmetry c1

“”")

mol2 = psi4.geometry("""

H

H 1 0.7

symmetry c1

“”")

base_wfn1 = psi4.core.Wavefunction.build(mol2, “cc-pVDZ”)

wfn1 = psi4.driver.proc.scf_wavefunction_factory(“SVWN”, base_wfn1, “UKS”)

wfn1.initialize()

wfn1.iterations()

base_wfn = psi4.core.Wavefunction.build(mol1, “cc-pVDZ”)

wfn = psi4.driver.proc.scf_wavefunction_factory(“SVWN”, base_wfn, “UKS”)

wfn.initialize()

wfn.iterations()

print(“wfn_H\n”, wfn.H().np[:])

wfn.form_H()

print(“wfn_H\n”,wfn.H().np[:])

print(“wfn1_H\n”,wfn1.H().np[:])

wfn1.form_H()

print(“wfn1_H\n”,wfn1.H().np[:])