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)