GSP
Quick Navigator

Search Site

Unix VPS
A - Starter
B - Basic
C - Preferred
D - Commercial
MPS - Dedicated
Previous VPSs
* Sign Up! *

Support
Contact Us
Online Help
Handbooks
Domain Status
Man Pages

FAQ
Virtual Servers
Pricing
Billing
Technical

Network
Facilities
Connectivity
Topology Map

Miscellaneous
Server Agreement
Year 2038
Credits
 

USA Flag

 

 

Man Pages


Manual Reference Pages  -  SC_TWOBODYTHREECENTERINTV3 (3)

NAME

sc::TwoBodyThreeCenterIntV3 - This implements electron repulsion integrals involving three centers in the IntV3 library.

CONTENTS

Synopsis

SYNOPSIS

#include <tbintv3.h>

Inherits sc::TwoBodyThreeCenterInt.

    Public Member Functions

    TwoBodyThreeCenterIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, size_t storage)    
int log2_shell_bound (int, int, int)
Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell.     void compute_shell (int, int, int)
Given three shell indices, integrals will be computed and placed in the buffer.     size_t storage_used ()    
void set_integral_storage (size_t storage)
This storage is used to cache computed integrals.

    Protected Attributes

    Ref< Int2eV3 > int2ev3_

    Additional Inherited Members

Detailed Description

This implements electron repulsion integrals involving three centers in the IntV3 library.

Member Function Documentation

void sc::TwoBodyThreeCenterIntV3::compute_shell (int, int, int) [virtual]

Given three shell indices, integrals will be computed and placed in the buffer. The first two indices correspond to electron 1 and the second index corresponds to electron 2.

Implements sc::TwoBodyThreeCenterInt.

int sc::TwoBodyThreeCenterIntV3::log2_shell_bound (int, int, int) [virtual]

Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell. An index of -1 for any argument indicates any shell.

Implements sc::TwoBodyThreeCenterInt.

Author

Generated automatically by Doxygen for MPQC from the source code.

Search for    or go to Top of page |  Section 3 |  Main Index


Version 2.3.1 SC::TWOBODYTHREECENTERINTV3 (3) Sun Apr 3 2016

Powered by GSP Visit the GSP FreeBSD Man Page Interface.
Output converted with manServer 1.07.