mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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pele
CellIter
pele::CellIter< distance_policy > Member List
This is the complete list of members for
pele::CellIter< distance_policy >
, including all inherited members.
atom2cell
(const size_t i)
pele::CellIter< distance_policy >
[protected]
atom2xbegin
(const size_t atom_index) const
pele::CellIter< distance_policy >
[inline, protected]
begin
() const
pele::CellIter< distance_policy >
[inline]
build_atom_neighbors_list
()
pele::CellIter< distance_policy >
[protected]
build_cell_neighbors_list
()
pele::CellIter< distance_policy >
[protected]
build_linked_lists
()
pele::CellIter< distance_policy >
[protected]
cell2coords
(const size_t icell) const
pele::CellIter< distance_policy >
[protected]
CellIter
(std::shared_ptr< distance_policy > dist, pele::Array< double > const boxv, const double rcut, const double ncellx_scale=1.0)
pele::CellIter< distance_policy >
cells_are_neighbors
(const size_t icell, const size_t jcell) const
pele::CellIter< distance_policy >
[protected]
const_iterator
typedef
pele::CellIter< distance_policy >
container_type
typedef
pele::CellIter< distance_policy >
end
() const
pele::CellIter< distance_policy >
[inline]
get_direct_nr_unique_pairs
(const double max_distance, pele::Array< double > x) const
pele::CellIter< distance_policy >
get_maximum_nr_unique_pairs
(pele::Array< double > x) const
pele::CellIter< distance_policy >
get_minimum_corner_distance2
(pele::Array< double > ic, pele::Array< double > jc) const
pele::CellIter< distance_policy >
[protected]
get_nr_cells
() const
pele::CellIter< distance_policy >
[inline]
get_nr_cellsx
() const
pele::CellIter< distance_policy >
[inline]
get_nr_unique_pairs
() const
pele::CellIter< distance_policy >
[inline]
loop_pow
(const T x, int ex) const
pele::CellIter< distance_policy >
[protected]
m_atom_neighbor_list
pele::CellIter< distance_policy >
[protected]
m_boxv
pele::CellIter< distance_policy >
[protected]
m_cell_neighbor_pairs
pele::CellIter< distance_policy >
[protected]
m_coords
pele::CellIter< distance_policy >
[protected]
m_dist
pele::CellIter< distance_policy >
[protected]
m_hoc
pele::CellIter< distance_policy >
[protected]
m_initialised
pele::CellIter< distance_policy >
[protected]
m_ll
pele::CellIter< distance_policy >
[protected]
m_natoms
pele::CellIter< distance_policy >
[protected]
m_ncells
pele::CellIter< distance_policy >
[protected]
m_ncellx
pele::CellIter< distance_policy >
[protected]
m_ndim
pele::CellIter< distance_policy >
[protected, static]
m_rcell
pele::CellIter< distance_policy >
[protected]
m_rcut
pele::CellIter< distance_policy >
[protected]
m_xmax
pele::CellIter< distance_policy >
[protected]
m_xmin
pele::CellIter< distance_policy >
[protected]
reset
(pele::Array< double > coords)
pele::CellIter< distance_policy >
sanity_check
()
pele::CellIter< distance_policy >
[protected]
setup
(Array< double > coords)
pele::CellIter< distance_policy >
[protected]
~CellIter
()
pele::CellIter< distance_policy >
[inline]
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