pele
Python energy landscape explorer
pele::CellLists< distance_policy > Member List
This is the complete list of members for pele::CellLists< distance_policy >, including all inherited members.
atom2cell(const size_t i)pele::CellLists< distance_policy > [protected]
atom2xbegin(const size_t atom_index) const pele::CellLists< distance_policy > [inline, protected]
build_atom_neighbors_list()pele::CellLists< distance_policy > [protected]
build_atom_neighbors_list_old()pele::CellLists< distance_policy > [protected]
build_cell_neighbors_list()pele::CellLists< distance_policy > [protected]
build_linked_lists()pele::CellLists< distance_policy > [protected]
cell2coords(const size_t icell) const pele::CellLists< distance_policy > [protected]
CellLists(std::shared_ptr< distance_policy > dist, pele::Array< double > const boxv, const double rcut, const double ncellx_scale=1.0)pele::CellLists< distance_policy >
cells_are_neighbors(const size_t icell, const size_t jcell) const pele::CellLists< distance_policy > [protected]
container_type typedefpele::CellLists< distance_policy >
get_atom_pair_looper(callback_class &callback) const pele::CellLists< distance_policy > [inline]
get_direct_nr_unique_pairs(const double max_distance, pele::Array< double > x) const pele::CellLists< distance_policy >
get_maximum_nr_unique_pairs(pele::Array< double > x) const pele::CellLists< distance_policy >
get_minimum_corner_distance2(pele::Array< double > ic, pele::Array< double > jc) const pele::CellLists< distance_policy > [protected]
get_nr_cells() const pele::CellLists< distance_policy > [inline]
get_nr_cellsx() const pele::CellLists< distance_policy > [inline]
get_nr_unique_pairs() const pele::CellLists< distance_policy >
loop_pow(const T x, int ex) const pele::CellLists< distance_policy > [protected]
m_boxvpele::CellLists< distance_policy > [protected]
m_containerpele::CellLists< distance_policy > [protected]
m_coordspele::CellLists< distance_policy > [protected]
m_distpele::CellLists< distance_policy > [protected]
m_initialisedpele::CellLists< distance_policy > [protected]
m_natomspele::CellLists< distance_policy > [protected]
m_ncellspele::CellLists< distance_policy > [protected]
m_ncellxpele::CellLists< distance_policy > [protected]
m_ndimpele::CellLists< distance_policy > [protected, static]
m_rcellpele::CellLists< distance_policy > [protected]
m_rcutpele::CellLists< distance_policy > [protected]
m_xmaxpele::CellLists< distance_policy > [protected]
m_xminpele::CellLists< distance_policy > [protected]
reset(pele::Array< double > coords)pele::CellLists< distance_policy >
sanity_check()pele::CellLists< distance_policy > [protected]
setup(Array< double > coords)pele::CellLists< distance_policy > [protected]
~CellLists()pele::CellLists< distance_policy > [inline]
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