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
sc::OneBodyOneCenterInt(3) MPQC sc::OneBodyOneCenterInt(3)

sc::OneBodyOneCenterInt - OneBodyOneCenterInt is an abstract base class for objects that compute integrals between two basis functions.

#include <obint.h>

Inherits sc::RefCount.

Inherited by sc::OneBodyOneCenterWrapper.


int nbasis () const
Returns the number of basis functions on center one. int nbasis1 () const
Returns the number of basis functions on the center one. int nshell () const
Return the number of shells on center one. int nshell1 () const
Return the number of shells on the center one. Ref< GaussianBasisSet > basis ()
Return the basis set on center one. Ref< GaussianBasisSet > basis1 ()
Return the basis set on the center one. const double * buffer () const
Returns the buffer where the integrals are placed. virtual void compute_shell (int)=0
Computes the integrals for basis functions on the given shell. virtual void reinitialize ()
This is called for one body integrals that take data to let them know that the data they reference has changed. virtual bool cloneable ()
Return true if the clone member can be called. virtual Ref< OneBodyOneCenterInt > clone ()
Returns a clone of this. Integral * integral () const


OneBodyOneCenterInt (Integral *integral, const Ref< GaussianBasisSet > &b1)


Integral * integral_
Ref< GaussianBasisSet > bs1_
double * buffer_

OneBodyOneCenterInt is an abstract base class for objects that compute integrals between two basis functions.

Returns a clone of this. The default implementation throws an exception.

Return true if the clone member can be called. The default implementation returns false.

Computes the integrals for basis functions on the given shell.

Implemented in sc::OneBodyOneCenterWrapper.

Generated automatically by Doxygen for MPQC from the source code.
Tue Jun 7 2022 Version 2.3.1

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

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