Source code for pyscf.geomopt

# Copyright 2014-2018 The PySCF Developers. All Rights Reserved.
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
#     http://www.apache.org/licenses/LICENSE-2.0
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# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
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#from . import berny_solver as berny

from .addons import as_pyscf_method

[docs] def optimize(method, *args, **kwargs): try: from . import geometric_solver as geom except ImportError as e1: try: from . import berny_solver as geom except ImportError: raise e1 return geom.optimize(method, *args, **kwargs)