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

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                           sc::ElectronDensity(3)

Detailed Description

       This is a Volume that computer the electron density.

       It can be used to generate isodensity surfaces.

Member Function Documentation

virtualvoidsc::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.

Name

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

Synopsis

       #include <density.h>

       Inherits sc::Volume.

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

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

   ProtectedAttributesRef< Wavefunction > wfn_AdditionalInheritedMembers

See Also