atom.cpp File Reference
#include "mpqc/chemistry/molecule/atom.h"
#include <iostream>
#include <map>
#include <libint2/chemistry/elements.h>
#include "atomic_data.h"
#include "mpqc/chemistry/units/units.h"
#include "mpqc/util/core/exception.h"
Include dependency graph for atom.cpp:
Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::detail | |
Functions | |
std::string | mpqc::detail::Z_to_element (int64_t Z) |
int64_t | mpqc::detail::element_to_Z (const std::string &symbol) |
std::ostream & | mpqc::operator<< (std::ostream &os, Atom const &a) |