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Dayou-Zhang committed Dec 3, 2024
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# Dayou Zhang <[email protected]>
# This file is adapted from `dft/libxc.py` of the PySCF core module
# commit 25eaa9572977b903de24d5c11ad345cecd744728
#
# Implemented functions register_custom_functional_, update_custom_functional_,
# and unregister_custom_functional_. To make this new functionality possible,
# and to improve the memory management of the LibXC data structure, interface
# functions which originally took arguments of type c_int were modified to take
# arguments of type xc_func_type from LibXC. The LibXC data structure are cached
# and managed in the python layer to avoid construction and destruction at every
# API call.

'''
XC functional, the interface to libxc
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