From b7ed70519468288e89da2c4f822382e0e58e7f8f Mon Sep 17 00:00:00 2001 From: Jackson Burns Date: Thu, 1 Feb 2024 10:50:26 -0500 Subject: [PATCH] Changed corrTest reference values Reference values for Petersson and Melius type BACs adjusted for newly fit data introduced in lithium_quantum_data branch of RMG-database --- test/arkane/encorr/corrTest.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/test/arkane/encorr/corrTest.py b/test/arkane/encorr/corrTest.py index 747f61e9b5..c5dbd1033f 100644 --- a/test/arkane/encorr/corrTest.py +++ b/test/arkane/encorr/corrTest.py @@ -97,7 +97,7 @@ def test_get_bac(self): bac_type=bac_type, ) # test value is obtained by BAC(self.freq_lot, bac_type=bac_type).get_correction(bonds=bonds, coords=CCCBDB_coords, nums=nums).value_si - test_value = 700 + test_value = -466 assert abs(bac - test_value) < 100 # test Melius BACs @@ -110,7 +110,7 @@ def test_get_bac(self): bac_type=bac_type, ) # test value is obtained by BAC(self.freq_lot, bac_type=bac_type).get_correction(bonds=bonds, coords=CCCBDB_coords, nums=nums).value_si - test_value = 949 + test_value = -234 assert abs(bac - test_value) < 100 def test_assign_frequency_scale_factor(self):