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_ELECTRONDENSITY (3)

NAME

sc::ElectronDensity - This is a Volume that computer the electron density.

CONTENTS

Synopsis

SYNOPSIS

#include <density.h>

Inherits sc::Volume.

    Public Member Functions

    ElectronDensity (const Ref< KeyVal > &)    
ElectronDensity (const Ref< Wavefunction > &)    
virtual void boundingbox (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2)

    Protected Member Functions

    virtual void compute ()
Recompute at least the results that have compute true and are not already computed.

    Protected Attributes

    Ref< Wavefunction > wfn_

    Additional Inherited Members

Detailed Description

This is a Volume that computer the electron density.

It can be used to generate isodensity surfaces.

Member Function Documentation

virtual void sc::ElectronDensity::compute () [protected], [virtual]

Recompute at least the results that have compute true and are not already computed. This should only be called by Result’s members.

Implements sc::Volume.

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::ELECTRONDENSITY (3) Sun Apr 3 2016

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