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https://github.com/LCPQ/quantum_package
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Fix put_pseudo.py
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2dbd82d2b6
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@ -19,7 +19,7 @@ from subprocess import Popen, PIPE
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qpackage_root = os.environ['QP_ROOT']
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EZFIO = "{0}/EZFIO".format(qpackage_root)
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EZFIO = "{0}/install/EZFIO".format(qpackage_root)
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sys.path = [EZFIO + "/Python"] + sys.path
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from ezfio import ezfio
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@ -51,7 +51,7 @@ def get_pseudo_str(l_atom):
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10.11238853 0 1.14052020 |1><1|
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"""
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EMSL_root = "{0}/EMSL_Basis/".format(qpackage_root)
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EMSL_root = "{0}/install/emsl/".format(qpackage_root)
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EMSL_path = "{0}/EMSL_api.py".format(EMSL_root)
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db_path = "{0}/db/Pseudo.db".format(EMSL_root)
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