<filename>nexus/examples/qmcpack/rsqmc_pyscf/01_h2o_hf_qmc/scf_template.py
#! /usr/bin/env python

from pyscf import scf

# Nexus expands this with Mole info
$system

mf = scf.RHF(mol)
mf.kernel()

<filename>nexus/examples/qmcpack/rsqmc_pyscf/01_h2o_hf_qmc/scf_template.py
#! /usr/bin/env python

from pyscf import scf

# Nexus expands this with Mole info
$system

mf = scf.RHF(mol)
mf.kernel()

#! /usr/bin/env python # Nexus expands this with Mole info