mirror of
https://github.com/LCPQ/quantum_package
synced 2024-09-02 01:23:41 +02:00
Fix put_pseudo.py
This commit is contained in:
parent
2dbd82d2b6
commit
ba06580028
@ -19,7 +19,7 @@ from subprocess import Popen, PIPE
|
|||||||
|
|
||||||
qpackage_root = os.environ['QP_ROOT']
|
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
|
sys.path = [EZFIO + "/Python"] + sys.path
|
||||||
|
|
||||||
from ezfio import ezfio
|
from ezfio import ezfio
|
||||||
@ -51,7 +51,7 @@ def get_pseudo_str(l_atom):
|
|||||||
10.11238853 0 1.14052020 |1><1|
|
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)
|
EMSL_path = "{0}/EMSL_api.py".format(EMSL_root)
|
||||||
db_path = "{0}/db/Pseudo.db".format(EMSL_root)
|
db_path = "{0}/db/Pseudo.db".format(EMSL_root)
|
||||||
|
|
||||||
|
Loading…
Reference in New Issue
Block a user