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# -*- coding: utf-8 -*-
#
# Copyright (c) 2017, the cclib development team
#
# This file is part of cclib (http://cclib.github.io) and is distributed under
# the terms of the BSD 3-Clause License.
"""Test coupled cluster logfiles"""
import os
import unittest
import numpy
from skip import skipForParser
__filedir__ = os.path.realpath(os.path.dirname(__file__))
class GenericCCTest(unittest.TestCase):
"""Generic coupled cluster unittest"""
@skipForParser('Turbomole','The parser is still being developed so we skip this test')
def testsign(self):
"""Are the coupled cluster corrections negative?"""
corrections = self.data.ccenergies - self.data.scfenergies
self.failUnless(numpy.alltrue(corrections < 0.0))
if __name__ == "__main__":
import sys
sys.path.insert(1, os.path.join(__filedir__, ".."))
from test_data import DataSuite
suite = DataSuite(['CC'])
suite.testall()
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