votca 2024.2-dev
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aoshell.h File Reference
#include <boost/math/constants/constants.hpp>
#include <votca/tools/constants.h>
#include "basisset.h"
#include "eigen.h"
#include "qmatom.h"
#include <libint2/shell.h>
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Classes

class  votca::xtp::AOGaussianPrimitive
 
struct  votca::xtp::AOGaussianPrimitive::data
 
class  votca::xtp::AOShell
 
struct  votca::xtp::AOShell::AOValues
 

Namespaces

namespace  votca
 base class for all analysis tools
 
namespace  votca::xtp
 Charge transport classes.
 

Macros

#define VOTCA_XTP_AOSHELL_H
 

Macro Definition Documentation

◆ VOTCA_XTP_AOSHELL_H

#define VOTCA_XTP_AOSHELL_H

Definition at line 22 of file aoshell.h.