camm.h File Reference

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

Include dependency graph for camm.h:

Classes
struct	occ::xtb::CammMoments

Namespaces
namespace	occ
namespace	occ::xtb

Functions
CammMoments	occ::xtb::compute_camm_moments (const std::vector< core::Atom > &atoms, const std::vector< int > &bf_to_atom, const Mat &P, const Mat &S, const MatTriple &D, const std::array< Mat, 6 > &Q)
CammMoments	occ::xtb::compute_camm_moments_periodic (const std::vector< core::Atom > &atoms, const std::vector< int > &bf_to_atom, const Mat &P, const MatTriple &D_ket, const MatTriple &D_bra, const std::array< Mat, 6 > &Q_ket, const std::array< Mat, 6 > &Q_bra)
void	occ::xtb::accumulate_camm_kpoint (const std::vector< int > &bf_to_atom, const CMat &P_k, double w_k, const CMatTriple &D_bra_k, const std::array< CMat, 6 > &Q_bra_k, CammMoments &mom)