sc_ShellPairCints3
Shellpaircints provides all primitive pair data for a given shell pair.
Usage
#include <shellpairs.h>
Inherits sc::SavableState.
Public Member Functions
ShellPairCints (Ref< PrimPairsCints > &)
ShellPairCints (StateIn &)
void save_data_state (StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. void init (const int, const int)
prim_pair_t * prim_pair (int p1, int p2) const
double prim_pair_P (int p1, int p2, int xyz) const
double prim_pair_gamma (int p1, int p2) const
double prim_pair_ovlp (int p1, int p2) const
Friends
void init_shell_pair (ShellPairsCints &)
Additional Inherited Members
Detailed Description
ShellPairCints provides all primitive pair data for a given shell pair.
Member Function Documentation
void sc::ShellPairCints::save_data_state (StateOut &) [virtual]
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data.
Reimplemented from sc::SavableState.
Releases
6 releases since Debian 3.1 (Sarge); the text changed 5 times.