molecule.h File Reference
#include <iosfwd>
#include <vector>
#include "mpqc/chemistry/molecule/atom_based_cluster.h"
#include "mpqc/chemistry/molecule/fwd.h"
#include "mpqc/util/external/c++/memory"
#include "mpqc/util/keyval/keyval.h"
#include "mpqc/util/misc/observer.h"
Include dependency graph for molecule.h:
This graph shows which files directly or indirectly include this file:
Classes | |
class | mpqc::Molecule |
Molecule is a class which contains a vector of AtomBasedClusterables. More... | |
struct | mpqc::detail::init_list_ctor< Molecule > |
Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::detail | |
Functions | |
std::ostream & | mpqc::operator<< (std::ostream &, Molecule const &) |
Make Molecules printable. More... | |