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_ONEBODYDERIVINTCCA (3)

NAME

sc::OneBodyDerivIntCCA - This implements one body derivative integrals.

CONTENTS

Synopsis

SYNOPSIS

#include <obintcca.h>

Inherits sc::OneBodyDerivInt.

    Public Member Functions

    OneBodyDerivIntCCA (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralEvaluatorFactory, bool, string)    
void compute_shell (int, int, DerivCenters &)
Compute the derivative integrals and place the result in the buffer returned by buffer().     void compute_shell (int, int, int)
Compute the derivative integrals with respect to the given center and place the result in the buffer returned by buffer().

    Protected Types

    typedef void(Int1eCCA::* IntegralFunction) (int, int, DerivCenters &)

    Protected Attributes

    Ref< Int1eCCA > int1ecca_

    Additional Inherited Members

Detailed Description

This implements one body derivative integrals.

It is given a function pointer to the Int1eCCA member that computes the particular integral of interest.

Member Function Documentation

void sc::OneBodyDerivIntCCA::compute_shell (int ish, int jsh, DerivCenters &) [virtual]

Compute the derivative integrals and place the result in the buffer returned by buffer().

Implements sc::OneBodyDerivInt.

void sc::OneBodyDerivIntCCA::compute_shell (int ish, int jsh, int center) [virtual]

Compute the derivative integrals with respect to the given center and place the result in the buffer returned by buffer().

Implements sc::OneBodyDerivInt.

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::ONEBODYDERIVINTCCA (3) Sun Apr 3 2016

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