#include <occ/core/linear_algebra.h>
#include <occ/gto/shell.h>
#include <occ/qm/guess_kind.h>

Include dependency graph for initial_guess.h:

This graph shows which files directly or indirectly include this file:

Classes
struct	occ::qm::GuessRequest
	What a guess needs to know about the system. More...

struct	occ::qm::Guess
	The starting point a guess produces. More...

Namespaces
namespace	occ

namespace	occ::qm
	quantum mechanics/quantum chemistry functionality including Hartree-Fock and more

Functions
bool	occ::qm::minimal_basis_covers (const gto::AOBasis &basis)
	Whether the shipped minimal basis has shells for every atom in `basis`.

GuessKind	occ::qm::select_guess (GuessKind requested, const gto::AOBasis &basis)
	Resolve `Auto` into a concrete kind; anything else passes through unchanged, so an explicit request is honoured even where it is a poor choice.

Guess	occ::qm::build_guess (GuessKind kind, const GuessRequest &request)
	Build `kind` for `request`.

Classes

Namespaces