scc.h File Reference

#include <occ/core/atom.h>
#include <occ/core/linear_algebra.h>
#include <occ/xtb/xtb_result.h>

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Classes
struct	occ::xtb::SccOptions

Namespaces
namespace	occ
namespace	occ::xtb

Typedefs
using	occ::xtb::SccResult = XtbResult

Functions
SccResult	occ::xtb::run_charge_only_scc (const std::vector< core::Atom > &atoms, const Gfn2Parameters &params, const SccOptions &opts={})
SccResult	occ::xtb::run_gfn2_scc (const std::vector< core::Atom > &atoms, const Gfn2Parameters &params, const SccOptions &opts={})