@@ -64,6 +64,17 @@ def setUpClass(cls):
6464 job_memory_gb = 64 ,
6565 )
6666
67+ cls .job_5 = MolproAdapter (execution_type = 'queue' ,
68+ job_type = 'opt' ,
69+ level = Level (method = 'CCSD(T)' , basis = 'cc-pVQZ' ),
70+ project = 'test' ,
71+ project_directory = os .path .join (ARC_PATH , 'arc' , 'testing' , 'test_MolproAdapter_2' ),
72+ species = [ARCSpecies (label = 'spc1' , xyz = ['O 0 0 1' ])],
73+ testing = True ,
74+ ess_trsh_methods = ['memory' ,'cpu' , 'molpro_memory: 2800 ' ],
75+ job_memory_gb = 64 ,
76+ )
77+
6778 def test_set_cpu_and_mem (self ):
6879 """Test assigning number of cpu's and memory"""
6980 self .job_1 .cpu_cores = 48
@@ -165,12 +176,13 @@ def test_write_input_file(self):
165176 self .assertEqual (content_2 , job_2_expected_input_file )
166177
167178 def test_core_reduction_logic (self ):
168- """_summary_test_core_reduction_logic """
179+ """Test the core reduction logic """
169180
170- # Reactive Job 3 again to trigger the condition of the core reduction logic
171- self .job_3 .set_input_file_memory ()
172- self .assertEqual (self .job_3 .input_file_memory , 4296 )
173- self .assertEqual (self .job_3 .cpu_cores , 2 )
181+ # Job 5 again to trigger the condition of the core reduction logic
182+ # Job 5 technically would be 3 CPUs prior to the reactive setting the input file memory.
183+ self .job_5 .set_input_file_memory ()
184+ self .assertEqual (self .job_5 .input_file_memory , 4296 )
185+ self .assertEqual (self .job_5 .cpu_cores , 2 )
174186
175187 def test_set_files (self ):
176188 """Test setting files"""
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