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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00

Fix put_pseudo.py

This commit is contained in:
Thomas Applencourt 2015-06-08 22:50:02 +02:00
parent 2dbd82d2b6
commit ba06580028

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)