Psi4
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optking/globals.h File Reference
#include <cstdio>
#include "package.h"
#include "psi4/psi4-dec.h"
#include "opt_params.h"
#include "opt_data.h"
#include "IRC_data.h"
#include "opt_except.h"

Go to the source code of this file.

Namespaces

 opt
 

Macros

#define FILENAME_INTCO_DAT   getIntcoFileName()
 
#define EXTERN
 
#define IOFF_MAX   32641
 

Functions

const char * getIntcoFileName ()
 
int opt::read_natoms (void)
 

Variables

EXTERN std::string opt::psi_outfile
 
EXTERN FILE * opt::qc_outfile
 
EXTERN int * opt::ioff
 
EXTERN OPT_PARAMS opt::Opt_params
 
EXTERN OPT_DATA * opt::p_Opt_data
 
EXTERN IRC_DATA * opt::p_irc_data
 

Macro Definition Documentation

#define EXTERN
#define FILENAME_INTCO_DAT   getIntcoFileName()
#define IOFF_MAX   32641

Function Documentation

const char* getIntcoFileName ( )