Public Member Functions

sc::PsiFile11 Class Reference

PsiFile11 is a Psi gradient file. More...

#include <psifile11.h>

Inheritance diagram for sc::PsiFile11:
sc::RefCount sc::Identity

List of all members.

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)

Detailed Description

PsiFile11 is a Psi gradient file.


The documentation for this class was generated from the following file:

Generated at Tue Jan 25 2011 11:12:41 for MPQC 2.3.1 using the documentation package Doxygen 1.7.1.