#include <array>
#include <occ/core/linear_algebra.h>
#include <stdexcept>
#include <string_view>
#include <type_traits>
#include <unsupported/Eigen/CXX11/Tensor>

Include dependency graph for einsum.h:

Namespaces
namespace	occ

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

namespace	occ::qm::cc

namespace	occ::qm::cc::detail

Functions
void	occ::qm::cc::detail::permute (const double in, const Eigen::Index dims, int rank, const int perm, double out)
	out = in with out.dim(k) = in.dim(perm[k]); column-major, rank <= 6

void	occ::qm::cc::detail::einsum_shape (std::string_view spec, const Eigen::Index da, int ra, const Eigen::Index db, int rb, Eigen::Index *dc, int rc)
	the result's dimensions for spec on operands of the given shapes

void	occ::qm::cc::detail::einsum_contract (std::string_view spec, const double a, const Eigen::Index da, int ra, const double b, const Eigen::Index db, int rb, double *out, int rc)
	the contraction itself, into out (sized from einsum_shape)

template<typename E >
constexpr int	occ::qm::cc::detail::rank_of ()

template<typename E >
decltype(auto)	occ::qm::cc::detail::evaluated (const E &e)

template<int R>
std::array< Eigen::Index, R >	occ::qm::cc::detail::dims_of (const Eigen::Tensor< double, R > &t)

template<int R>
Eigen::Tensor< double, R >	occ::qm::cc::transpose (const Eigen::Tensor< double, R > &a, const std::type_identity_t< std::array< int, R > > &perm)
	numpy a.transpose(perm): out.dimension(k) = a.dimension(perm[k]), evaluated

template<int RC, typename A , typename B >
Eigen::Tensor< double, RC >	occ::qm::cc::einsum (std::string_view spec, const A &a, const B &b)
	numpy einsum of two operands with an RC-index result: a label in both inputs and not in the output is summed; a label may not repeat within one operand, nor appear in both inputs and the output (no batch or trace terms).

template<int R>
double	occ::qm::cc::dot (const Eigen::Tensor< double, R > &a, const Eigen::Tensor< double, R > &b)
	sum_x a(x) b(x) over two tensors of the same shape

template<int R>
double	occ::qm::cc::norm (const Eigen::Tensor< double, R > &a)
	Frobenius norm of a tensor.

template<int R>
double	occ::qm::cc::max_abs (const Eigen::Tensor< double, R > &a)
	largest \|a(x)\|

Eigen::Tensor< double, 2 >	occ::qm::cc::as_tensor (const occ::Mat &m)
	a matrix as a 2-index tensor (both column-major: a plain copy)

occ::Mat	occ::qm::cc::as_matrix (const Eigen::Tensor< double, 2 > &t)
	a 2-index tensor as a matrix

Namespaces

Functions