bug fix for DCDFTB

11 months ago · 0ded9d1126
parent 50197aaf02
commit 0ded9d1126
2 changed files with 2 additions and 1 deletions
--- a/lib/pycache/cmmde_hubbard.cpython-310.pyc
+++ b/lib/pycache/cmmde_hubbard.cpython-310.pyc
--- a/lib/cmmde_hubbard.py
+++ b/lib/cmmde_hubbard.py
@ -23,7 +23,8 @@ def azimuth(element):
    'Ni' : '3',
    'Co' : '3',
    'Ti' : '3',
-    'C' : '2'
+    'C' : '2',
    'Si': '3'
    }
    return azimuth[element]