slaterbasis.h File Reference

#include <ankerl/unordered_dense.h>
#include <occ/core/atom.h>
#include <occ/core/linear_algebra.h>
#include <string>
#include <vector>

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Classes
class	occ::slater::Shell
class	occ::slater::Basis

Namespaces
namespace	occ
namespace	occ::slater
	evaluation of Slater-type orbitals, their derivatives etc.

Typedefs
using	occ::slater::SlaterBasisSetMap = ankerl::unordered_dense::map< std::string, Basis >

Functions
SlaterBasisSetMap	occ::slater::load_slaterbasis (const std::string &name="thakkar")
std::vector< Basis >	occ::slater::slaterbasis_for_atoms (const std::vector< occ::core::Atom > &, const std::string &basis_name="thakkar", const std::vector< int > &oxidation_states={})