nmo through calc

NLESC-JCER · Nov 30, 2023 · 7bb2a3a · 7bb2a3a
1 parent b92f19f
commit 7bb2a3a
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/qmctorch/wavefunction/jastrows/elec_elec/jastrow_factor_electron_electron.py b/qmctorch/wavefunction/jastrows/elec_elec/jastrow_factor_electron_electron.py
@@ -51,7 +51,7 @@ def __init__(
         if orbital_dependent_kernel:
             # default to all orbitals if number_of_orbitals is None
             if number_of_orbitals is None:
-                number_of_orbitals = mol.nmo
+                number_of_orbitals = mol.calculator.basis.nmo
             # create the orbital dependent jastrow
             self.jastrow_kernel = OrbitalDependentJastrowKernel(
                 mol.nup,