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sc::ShellPairIter(3) MPQC sc::ShellPairIter(3)

NAME

sc::ShellPairIter

SYNOPSIS

Public Member Functions


void init (const double *buffer, int ishell, int jshell, int ioff, int joff, int nfunci, int nfuncj, int redund=0, double scale=1.0)
void start ()
int ready () const
void next ()
int current_i () const
int current_j () const
int i () const
int j () const
int nint () const
double val () const

Author

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Sun Oct 4 2020 Version 2.3.1