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Fix aux file location in test_qcschema.py
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sunqm authored Dec 4, 2024
1 parent c32136c commit a8b8537
Showing 1 changed file with 2 additions and 3 deletions.
5 changes: 2 additions & 3 deletions pyscf/tools/test/test_qcschema.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,17 +2,16 @@
Loads QCSchema format json result and computes dipole moment.
Wavefunction info is in QCSchema json data file.
'''
from os.path import join
from pyscf.tools.qcschema import *
from pyscf import gto, dft, lib
import json
import numpy as np
import unittest
import tempfile

class KnownValues(unittest.TestCase):
def test_qcschema_dipole(self):
chkfile = ""
qcschema_json = "qcschema_result.json"
qcschema_json = join(__file__, "..", "qcschema_result.json")

# Load Accelerated DFT output json
qcschema_dict = load_qcschema_json(qcschema_json)
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