logo
Free, unlimited AI code reviews that run on commit
git-lrc git-lrc GitHub Install Now We'd appreciate a star git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt

sc::PW92LCFunctional - Implements the PW92 local (LSDA) correlation term.

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                          sc::PW92LCFunctional(3)

Detailed Description

       Implements the PW92 local (LSDA) correlation term.

       This local correlation functional is used in PW91 and PBE.

       J. P. Perdew and Y. Wang. Phys. Rev. B, 45, 13244, 1992.

Member Function Documentation

voidsc::PW92LCFunctional::save_data_state(StateOut&)[virtual]
       Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR
       initializes them. This must be implemented by the derived class if the class has data.

       Reimplemented from sc::LSDACFunctional.

Name

       sc::PW92LCFunctional - Implements the PW92 local (LSDA) correlation term.

Synopsis

       #include <functional.h>

       Inherits sc::LSDACFunctional.

   PublicMemberFunctionsPW92LCFunctional (const Ref< KeyVal > &)
       PW92LCFunctional (StateIn &)
       void save_data_state (StateOut &)
           Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR
           initializes them.
       void point_lc (const PointInputData &, PointOutputData &, double &, double &, double &)

   ProtectedMemberFunctions
       double F (double x, double A, double alpha_1, double beta_1, double beta_2, double beta_3, double beta_4,
           double p)
       double dFdr_s (double x, double A, double alpha_1, double beta_1, double beta_2, double beta_3, double
           beta_4, double p)

   AdditionalInheritedMembers
return

See Also