occ::qm::cc::UCCSDOptions Struct Reference

#include <uccsd.h>

Collaboration diagram for occ::qm::cc::UCCSDOptions:

Public Attributes
std::string	backend {"exact"}
int	n_frozen {0}
bool	with_triples {true}
int	max_cycle {100}
double	tol {1e-9}
std::size_t	memory_budget {std::size_t(1) << 30}
ThcOptions	thc {}
	THC factorization options (thc backend only)

Member Data Documentation

backend

std::string occ::qm::cc::UCCSDOptions::backend {"exact"}

max_cycle

int occ::qm::cc::UCCSDOptions::max_cycle {100}

memory_budget

std::size_t occ::qm::cc::UCCSDOptions::memory_budget {std::size_t(1) << 30}

n_frozen

int occ::qm::cc::UCCSDOptions::n_frozen {0}

thc

ThcOptions occ::qm::cc::UCCSDOptions::thc {}

THC factorization options (thc backend only)

tol

double occ::qm::cc::UCCSDOptions::tol {1e-9}

with_triples

bool occ::qm::cc::UCCSDOptions::with_triples {true}

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

• /home/runner/work/occ/occ/include/occ/qm/cc/uccsd.h