LCPQ/EMSL_Basis_Set_Exchange_Local
10
0
Fork 0
mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2024-12-22 04:13:43 +01:00
Code Issues Releases Wiki Activity

Make a warning

Browse Source
This commit is contained in:
Thomas Applencourt 2015-03-24 13:56:46 +01:00
parent 5623eb94b0
commit 3735ff8199
2 changed files with 11 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
EMSL_api.py
View File

@ -84,10 +84,12 @@ if __name__ == '__main__':
if arguments["--average_mo_number"]:
for name, des, avg in l:
print "- '{0}' ({1}) || {:<50}".format(name, avg, des)
des_str = "{:<50}".format(des)
print "- '{0}' ({1}) || {2}".format(name, avg, des_str)
else:
for name, des in l:
print "- '{0}' || {:<50}".format(name, des)
des_str = "{:<50}".format(des)
print "- '{0}' || {1}".format(name, des_str)
# _ _ _ _____ _ _
# | | (_) | | | ___| | | |

8
src/EMSL_dump.py
View File

@ -2,7 +2,13 @@ import os
import sys
import re
import time
import sqlite3
try:
import sqlite3
except ImportError:
print "you maybe need libsqlite3-dev from the package manager"
print "and the recompile Python"
raise
from collections import OrderedDict