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fiddle w/ test thresholds
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MatthewRHermes committed Sep 17, 2024
1 parent f6fa138 commit ff975cb
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion tests/lassi/test_c2h4n4.py
Original file line number Diff line number Diff line change
Expand Up @@ -187,6 +187,9 @@ def test_lassis_slow (self):
with self.subTest ('as_scanner'):
lsis_scanner = lsis.as_scanner ()
mol2 = struct (1.9, 1.9, '6-31g', symmetry=False)
mol2.verbose = 0
mol2.output = '/dev/null'
mol2.build ()
lsis_scanner (mol2)
self.assertTrue (lsis_scanner.converged)
mf2 = scf.RHF (mol2).run ()
Expand All @@ -195,7 +198,7 @@ def test_lassis_slow (self):
las2.lasci ()
lsis2 = LASSIS (las2).run ()
self.assertTrue (lsis2.converged)
self.assertAlmostEqual (lsis_scanner.e_roots[0], lsis2.e_roots[0], 7)
self.assertAlmostEqual (lsis_scanner.e_roots[0], lsis2.e_roots[0], 5)


def test_contract_hlas_ci (self):
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