LIBINT  2.1.0-stable
Classes | Public Types | Public Member Functions | Public Attributes | List of all members
libint2::ShellPair Struct Reference

ShellPair pre-computes shell-pair data, primitive pairs are screened to finite precision. More...

#include <shell.h>

Classes

struct  PrimPairData
 

Public Types

typedef Shell::real_t real_t
 

Public Member Functions

 ShellPair (size_t max_nprim)
 
void init (const Shell &s1, const Shell &s2, const real_t &ln_prec)
 

Public Attributes

std::vector< PrimPairDataprimpairs
 
real_t AB [3]
 

Detailed Description

ShellPair pre-computes shell-pair data, primitive pairs are screened to finite precision.


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