Update default auxiliary basis for def2-mtzvp and def2-mtzvpp

sunqm · Jan 26, 2025 · 3089d3e · 3089d3e
1 parent 7ff869f
commit 3089d3e
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/pyscf/df/addons.py b/pyscf/df/addons.py
@@ -52,8 +52,10 @@
     'def2svp'     : ('def2-svp-jkfit'         , 'def2-svp-ri'        ),
     'def2svpd'    : ('def2-svp-jkfit'         , 'def2-svpd-ri'       ),
     'def2tzvp'    : ('def2-tzvp-jkfit'        , 'def2-tzvp-ri'       ),
+    'def2mtzvp'   : ('def2-tzvp-jkfit'        , 'def2-tzvp-ri'       ),
     'def2tzvpd'   : ('def2-tzvp-jkfit'        , 'def2-tzvpd-ri'      ),
     'def2tzvpp'   : ('def2-tzvpp-jkfit'       , 'def2-tzvpp-ri'      ),
+    'def2mtzvpp'  : ('def2-tzvpp-jkfit'       , 'def2-tzvpp-ri'      ),
     'def2tzvppd'  : ('def2-tzvpp-jkfit'       , 'def2-tzvppd-ri'     ),
     'def2qzvp'    : ('def2-qzvp-jkfit'        , 'def2-qzvp-ri'       ),
     'def2qzvpd'   : ('def2-qzvp-jkfit'        , None                 ),