#include "mpqc/chemistry/qc/lcao/basis/basis.h"
#include <libint2/shell.h>

Include dependency graph for shell_vec_functions.h:

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

Namespaces
	mpqc
	The top-level namespace for all Massively Parallel Quantum Chemistry package.

	mpqc::lcao

	mpqc::lcao::gaussian

Functions
int64_t	mpqc::lcao::gaussian::max_am (ShellVec const &)
	Returns the maximum angular momement of any shell in the vector. More...

int64_t	mpqc::lcao::gaussian::max_nprim (ShellVec const &)
	Returns the maximum number of primatives of any shell in the vector. More...

int64_t	mpqc::lcao::gaussian::nfunctions (ShellVec const &)
	Returns the maximum number of primatives of any shell in the vector. More...

std::vector< std::vector< libint2::Shell > >	mpqc::lcao::gaussian::reblock_basis (std::vector< libint2::Shell > shells, std::size_t blocksize)

Namespaces

Functions