Changeset 139f8c for molecuilder/src/orbitals.db

Timestamp:

Oct 11, 2008, 4:07:45 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

45d5cc

Parents:

1e5e16

Message:

corrected number of valence orbitals for Calcium (2 -> 4) and inserted typical bond distance and angle (first taken from bpti, second guessed)

File:

• molecuilder/src/orbitals.db (modified) (1 diff)

molecuilder/src/orbitals.db

@@ -18 +18 @@
 18      0
 19      1
-20      2
+20      4
 21      3
 22      4