An atom (symbol and position). More...
#include <ESInterface.h>
Collaboration diagram for slymer::Atom:
Public Attributes | |
| std::array< double, 3 > | position |
| The atom's location, in angstroms. More... | |
| std::string | symbol |
| The atom's symbol. More... | |
Detailed Description
An atom (symbol and position).
Member Data Documentation
◆ position
| std::array<double, 3> slymer::Atom::position |
The atom's location, in angstroms.
Referenced by slymer::NWChem_Interface::read_atoms().
◆ symbol
| std::string slymer::Atom::symbol |
The atom's symbol.
Referenced by slymer::NWChem_Interface::read_atoms(), and madness::AtomicBasisSet::read_nw_file().
The documentation for this struct was generated from the following file:
