Psi4
Classes | Namespaces
frag.h File Reference
#include <cstdio>
#include <vector>
#include <string>
#include "psi4/libpsi4util/PsiOutStream.h"
#include "print.h"
#include "coordinates.h"
#include "psi4/psi4-dec.h"

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Classes

class  opt::FRAG
 A group of atoms, its geometry, and its internal coordinates. More...
 

Namespaces

 opt
 

Detailed Description

: header for fragment class