Psi4
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molecule_fragments.cc File Reference

functions to handle fragments More...

#include "molecule.h"
#include <iostream>
#include <sstream>
#include "linear_algebra.h"
#include "v3d.h"
#include "atom_data.h"
#include "psi4/optking/physconst.h"
#include "cov_radii.h"
#include "print.h"
#include "globals.h"
#include <cmath>
#include "psi4/libmints/molecule.h"

Namespaces

 opt
 

Macros

#define EXTERN
 

Detailed Description

functions to handle fragments

Macro Definition Documentation

#define EXTERN