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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. | ||
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''' | ||
XC functional, the interface to libxc | ||
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