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Man Pages


Manual Reference Pages  -  SC_PSIINPUT (3)

NAME

sc::PsiInput - PsiInput is a Psi input file.

CONTENTS

Synopsis

SYNOPSIS

#include <psiinput.h>

Inherits sc::RefCount.

    Public Member Functions

    PsiInput (const string &name)    
void open ()    
void close ()    
void print (std::ostream &)    
void begin_section (const char *s)    
void end_section ()    
void write_indent ()    
void incindent (int)    
void decindent (int)    
void write_comment (const char *)    
void write_keyword (const char *, const char *)    
void write_keyword (const char *, int)    
void write_keyword (const char *, double)    
void write_keyword_array (const char *, int, int *)    
void write_keyword_array (const char *, int, double *)    
void write_string (const char *)    
void write_key_wq (const char *, const char *)    
void write_basis (const Ref< GaussianBasisSet > &)
Construct the ’basis’ keyword for input.     void write_basis_sets (const Ref< GaussianBasisSet > &)
Write basis sets explicitly.     void write_geom (const Ref< Molecule > &)    
void write_defaults (const Ref< PsiExEnv > &, const char *dertype)

    Additional Inherited Members

Detailed Description

PsiInput is a Psi input file.

Author

Generated automatically by Doxygen for MPQC from the source code.

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

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