Add files via upload

ss0832 · web-flow · commit d26c9c30c74e · 2026-03-08T13:43:20.000+09:00
diff --git a/multioptpy/optimization.py b/multioptpy/optimization.py
@@ -2310,7 +2310,7 @@ def _perform_vibrational_analysis(
         tmp_hess += BPA_hessian
 
         MV = MolecularVibrations(
-            atoms=element_list, coordinates=geom_num_list, hessian=tmp_hess
+            atoms=element_list, coordinates=geom_num_list, hessian=tmp_hess, skip_judge_symm=self.config.no_symmetry_analyzer
         )
         thermo_results = MV.calculate_thermochemistry(
             e_tot=B_e,

Original file line number	Diff line number	Diff line change
`@@ -2310,7 +2310,7 @@ def _perform_vibrational_analysis(`
`2310`	`2310`	`tmp_hess += BPA_hessian`
`2311`	`2311`
`2312`	`2312`	`MV = MolecularVibrations(`
`2313`		`- atoms=element_list, coordinates=geom_num_list, hessian=tmp_hess`
	`2313`	`+ atoms=element_list, coordinates=geom_num_list, hessian=tmp_hess, skip_judge_symm=self.config.no_symmetry_analyzer`
`2314`	`2314`	`)`
`2315`	`2315`	`thermo_results = MV.calculate_thermochemistry(`
`2316`	`2316`	`e_tot=B_e,`