sc::ShellPairLibint2 Class Reference

ShellPairLibint2 is an interface to PrimPairsLibint2. More...

#include <chemistry/qc/libint2/shellpairs.h>

Public Member Functions
	ShellPairLibint2 (const PrimPairsLibint2 &pp)
void	init (const unsigned int s1, const unsigned int s2)
	after calling, this object refers to pair {s1,s2}
prim_pair_t *	prim_pair (unsigned int p1, unsigned int p2) const
double	prim_pair_P (unsigned int p1, unsigned int p2, unsigned int xyz) const
double	prim_pair_gamma (unsigned int p1, unsigned int p2) const
double	prim_pair_ovlp (unsigned int p1, unsigned int p2) const

Detailed Description

ShellPairLibint2 is an interface to PrimPairsLibint2.

It provides all primitive pair data for a given shell pair

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

• src/lib/chemistry/qc/libint2/shellpairs.h