Typo

chemle · Oct 30, 2024 · bb808d5 · bb808d5
1 parent f80c52d
commit bb808d5
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/bin/emle-analyze b/bin/emle-analyze
@@ -62,7 +62,7 @@ result = {'z': parser.z,
           'E_induced_qm': parser.E_induced,
           's_qm': parser.mbis['s'],
           'q_core_qm': parser.mbis['q_core'],
-          'q_val_qm': parser.mbis['q_core'],
+          'q_val_qm': parser.mbis['q_val'],
           'E_static_emle': analyzer.e_static,
           'E_induced_emle': analyzer.e_induced,
           's_emle': analyzer.s,