From ff975cb2e6f405c9c4db2bad5164e7ae9bf185b9 Mon Sep 17 00:00:00 2001 From: Matthew R Hermes Date: Tue, 17 Sep 2024 14:20:27 -0500 Subject: [PATCH] fiddle w/ test thresholds --- tests/lassi/test_c2h4n4.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/tests/lassi/test_c2h4n4.py b/tests/lassi/test_c2h4n4.py index 0254a953..7bfaa28d 100644 --- a/tests/lassi/test_c2h4n4.py +++ b/tests/lassi/test_c2h4n4.py @@ -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 () @@ -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):