occ::qm::cosx::ShellLists Struct Reference

ORCA-style SHARK shell lists (shell-based, not pair-based) See: Helmich-Paris et al. More...

#include <seminumerical_exchange.h>

Public Attributes
std::vector< size_t >	list1
std::vector< size_t >	list2
std::vector< size_t >	list3

Detailed Description

ORCA-style SHARK shell lists (shell-based, not pair-based) See: Helmich-Paris et al.

J. Chem. Phys. 155, 104109 (2021)

Member Data Documentation

list1

std::vector<size_t> occ::qm::cosx::ShellLists::list1

list2

std::vector<size_t> occ::qm::cosx::ShellLists::list2

list3

std::vector<size_t> occ::qm::cosx::ShellLists::list3

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The documentation for this struct was generated from the following file:

• /home/runner/work/occ/occ/include/occ/qm/seminumerical_exchange.h