Source code for pyscf.pbc.grad.uks

#!/usr/bin/env python
# Copyright 2021-2024 The PySCF Developers. All Rights Reserved.
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# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
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#     http://www.apache.org/licenses/LICENSE-2.0
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# Unless required by applicable law or agreed to in writing, software
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# Author: Xing Zhang <zhangxing.nju@gmail.com>
#

from pyscf.pbc.grad import uhf


[docs] class Gradients(uhf.Gradients): '''Non-relativistic Gamma-point unrestricted Kohn-Sham DFT gradients''' pass