LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-22 05:02:15 +02:00
Code Issues Releases Wiki Activity

Fix put_pseudo.py

Browse Source
This commit is contained in:
Thomas Applencourt 2015-06-08 22:50:02 +02:00
parent 2dbd82d2b6
commit ba06580028
1 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
scripts/pseudo/put_pseudo_in_ezfio.py
View File

@ -19,7 +19,7 @@ from subprocess import Popen, PIPE
qpackage_root = os.environ['QP_ROOT']
EZFIO = "{0}/EZFIO".format(qpackage_root)
EZFIO = "{0}/install/EZFIO".format(qpackage_root)
sys.path = [EZFIO + "/Python"] + sys.path
from ezfio import ezfio
@ -51,7 +51,7 @@ def get_pseudo_str(l_atom):
10.11238853 0 1.14052020 |1><1|
"""
EMSL_root = "{0}/EMSL_Basis/".format(qpackage_root)
EMSL_root = "{0}/install/emsl/".format(qpackage_root)
EMSL_path = "{0}/EMSL_api.py".format(EMSL_root)
db_path = "{0}/db/Pseudo.db".format(EMSL_root)