/usr/share/psi/plugin/scf.pymodule.py.template is in psi4-data 1:0.3-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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#@BEGIN LICENSE
#
# @plugin@ by Psi4 Developer, a plugin to:
#
# PSI4: an ab initio quantum chemistry software package
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 2 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License along
# with this program; if not, write to the Free Software Foundation, Inc.,
# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
#
#@END LICENSE
#
import psi4
import re
import os
import inputparser
import math
import warnings
from driver import *
from wrappers import *
from molutil import *
import p4util
from p4xcpt import *
def run_@plugin@(name, **kwargs):
r"""Function encoding sequence of PSI module and plugin calls so that
@plugin@ can be called via :py:func:`~driver.energy`. For scf plugins.
>>> energy('@plugin@')
"""
lowername = name.lower()
kwargs = p4util.kwargs_lower(kwargs)
# Your plugin's psi4 run sequence goes here
#psi4.set_global_option('BASIS', 'sto-3g')
psi4.set_local_option('@PLUGIN@', 'PRINT', 1)
returnvalue = psi4.plugin('@plugin@.so')
psi4.set_variable('CURRENT ENERGY', returnvalue)
# Integration with driver routines
procedures['energy']['@plugin@'] = run_@plugin@
def exampleFN():
# Your Python code goes here
pass
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