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Man Pages


Manual Reference Pages  -  SC_SHELLPAIRCINTS (3)

NAME

sc::ShellPairCints - ShellPairCints provides all primitive pair data for a given shell pair.

CONTENTS

Synopsis

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

Generated automatically by Doxygen for MPQC from the source code.

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Version 2.3.1 SC::SHELLPAIRCINTS (3) Sun Apr 3 2016

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