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Fix typos in test_uks.py
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puzhichen committed Jan 19, 2024
1 parent 910416f commit 730cd7a
Showing 1 changed file with 7 additions and 7 deletions.
14 changes: 7 additions & 7 deletions gpu4pyscf/dft/tests/test_uks.py
Original file line number Diff line number Diff line change
Expand Up @@ -57,32 +57,32 @@ class KnownValues(unittest.TestCase):
'''
known values are obtained by pyscf
'''
def test_rks_lda(self):
def test_uks_lda(self):
print('------- LDA ----------------')
e_tot = run_dft("LDA, vwn5")
assert np.allclose(e_tot, -75.42821982483972)

def test_rks_pbe(self):
def test_uks_pbe(self):
print('------- PBE ----------------')
e_tot = run_dft('PBE')
assert np.allclose(e_tot, -75.91732813416843)

def test_rks_b3lyp(self):
def test_uks_b3lyp(self):
print('-------- B3LYP -------------')
e_tot = run_dft('B3LYP')
assert np.allclose(e_tot, -76.00306439862237)

def test_rks_m06(self):
def test_uks_m06(self):
print('--------- M06 --------------')
e_tot = run_dft("M06")
assert np.allclose(e_tot, -75.96551006522827)

def test_rks_wb97(self):
def test_uks_wb97(self):
print('-------- wB97 --------------')
e_tot = run_dft("HYB_GGA_XC_WB97")
assert np.allclose(e_tot, -75.987601337562)

def test_rks_vv10(self):
def test_uks_vv10(self):
print("------- wB97m-v -------------")
e_tot = run_dft('HYB_MGGA_XC_WB97M_V')
assert np.allclose(e_tot, -75.97363094678428)
Expand All @@ -92,4 +92,4 @@ def test_rks_vv10(self):
if __name__ == "__main__":
print("Full Tests for dft")
unittest.main()

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