/usr/share/psi/plugin/scf.pymodule.py.template is in psi4-data 4.0~beta5+dfsg-2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 | import psi4
import re
import os
import input
import math
import warnings
from driver import *
from wrappers import *
from molutil import *
from text import *
from procutil 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 = 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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