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Man Pages


Manual Reference Pages  -  SC_PSIFILE11 (3)

NAME

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

CONTENTS

Synopsis

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.

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Version 2.3.1 SC::PSIFILE11 (3) Sun Apr 3 2016

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