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sc::PsiFile11 Class Reference

PsiFile11 is a Psi gradient file. More...

#include <psifile11.h>

Inheritance diagram for sc::PsiFile11:

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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 Sat Dec 18 15:14:57 2004 for MPQC 2.2.3 using the documentation package Doxygen 1.3.7-20040617.