LCPQ/EMSL_Basis_Set_Exchange_Local
10
0
Fork 0
mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2024-10-31 19:23:42 +01:00
Code Issues Releases Wiki Activity

pep 8

Browse Source
This commit is contained in:
Thomas Applencourt 2015-03-16 15:47:44 +01:00
parent a773c4ed06
commit a7dba23654
3 changed files with 82 additions and 81 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

5
src/EMSL_dump.py
View File

@ -42,7 +42,8 @@ class EMSL_dump:
self.db_path = db_path
if format not in format_dict:
print >> sys.stderr, "Format {0} doesn't exist. Choose in:".format(format)
print >> sys.stderr, "Format {0} doesn't exist. Choose in:".format(
format)
print >> sys.stderr, format_dict.keys()
sys.exit(1)
else:
@ -152,8 +153,6 @@ class EMSL_dump:
return d
# _____ _
# / __ \ | |
# | / \/_ __ ___ __ _| |_ ___

2
src/parser.py
View File

@ -98,6 +98,8 @@ format_dict = {"Gaussian94": None,
# \_| |_/\__,_|_| |_|\__,_|_|\___| \_____/
#
#
def handle_f_gamess_us(l_atom_basis, list_symetry):
"""
Read l_atom_basis, if "L" orbital before "D" one, split them into S and P