NAME

       sc::PsiFile11 - PsiFile11 is a Psi gradient file.

SYNOPSIS

       #include <psifile11.h>

       Inherits sc::RefCount.

   Public Member Functions
       PsiFile11 (const string &name)
       void open ()
       void close ()
       void remove ()
       int get_natom (int entry)
       double get_energy (int entry)
       double get_coord (int entry, int atom, int xyz)
       double get_grad (int entry, int atom, int xyz)

   Additional Inherited Members

Detailed Description

       PsiFile11 is a Psi gradient file.

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                                 sc::PsiFile11(3)