sc::ShellPairCints(3) MPQC sc::ShellPairCints(3)NAME
sc::ShellPairCints - ShellPairCints provides all primitive pair data
for a given shell pair.
SYNOPSIS
#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.
Author
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Version 2.3.1 Fri Feb 19 2016 sc::ShellPairCints(3)
