MPQC  3.0.0-alpha
sc::cadf::Node Class Reference
Inheritance diagram for sc::cadf::Node:

Public Member Functions

uli assign_pair (const ShellData &ish, const ShellBlockData<> &Xblk)
 
bool should_do_obs_shell (uli shell_index) const
 
bool should_do_dfbs_atom (uli atom_index) const
 
void assign_coef_item (boost::shared_ptr< AssignableItem > const &item, bool is_df)
 
uli dfnsh () const
 
const std::set< uint > & assigned_dfbs_shells () const
 
const ptr_set< boost::shared_ptr< AssignableAtom >, detail::index_less > & assigned_dfbs_atoms () const
 
bool operator< (const Node &other) const
 
const std::unordered_map< uint, uli > & dfbs_coef_offsets () const
 

Public Attributes

union {
   int   node_index
 
   int   id
 
}; 
 
std::vector< AssignableShellPairpairs
 
std::set< uli > obs_shells_to_do
 
std::set< uli > dfbs_atoms_to_do
 
std::array< std::vector< boost::shared_ptr< AssignableItem > >, 2 > compute_coef_items
 
boost::shared_ptr< AssignmentBinbin
 
boost::shared_ptr< assignments::AtomClustercluster
 
ptr_priority_queue< boost::shared_ptr< Node > >::handle_type pq_handle
 
uli estimated_workload = 0
 
uli shell_pair_count = 0
 
uli basis_pair_count = 0
 
bool is_me = false
 

The documentation for this class was generated from the following file:

Generated at Sun Jan 26 2020 23:24:15 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.