sc::PsiFile11(3) MPQC sc::PsiFile11(3)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 Fri Feb 19 2016 sc::PsiFile11(3)
