LCPQ/EMSL_Basis_Set_Exchange_Local
10
0
Fork 0
mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2024-08-24 21:41:44 +02:00
Code Issues Releases Wiki Activity

Minor bug

Browse Source
This commit is contained in:
Thomas Applencourt 2015-01-08 16:58:57 +01:00
parent 44bf2f0384
commit 9abbc80ef0
1 changed files with 3 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
EMSL_api.py
View File

@ -88,8 +88,10 @@ if __name__ == '__main__':
#\____/ \__,_|___/_|___/ \__,_|\__,_|\__\__,_|
if arguments["get_basis_data"]:
e = EMSL_local(db_path=db_path)
basis_name = arguments["--basis"]
elts = arguments["--ele"]
l = e.get_basis(arguments["--basis"], arguments["--ele"])
l = e.get_basis(basis_name, elts)
str_ = "\n\n".join(l) + "\n"
if arguments["--save"]: