votca 2026-dev
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environmentscreening.h File Reference
#include <string>
#include <vector>
#include "aobasis.h"
#include "classicalsegment.h"
#include "eigen.h"
#include "qmmolecule.h"
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Classes

struct  votca::xtp::ScreeningEnvironment
 The polarizable environment a GW-BSE calculation is screened by: what a QM/MM job hands to GWBSE (GWBSE::setScreeningEnvironment). More...
struct  votca::xtp::ScreeningCheck
 Outcome of EnvironmentScreening::Check: whether 1 + R is positive definite, and a human-readable account of what limits it. More...
class  votca::xtp::EnvironmentScreening

Namespaces

namespace  votca
 Provides a means for comparing floating point numbers.
namespace  votca::xtp
 Charge transport classes.

Macros

#define VOTCA_XTP_ENVIRONMENTSCREENING_H

Macro Definition Documentation

◆ VOTCA_XTP_ENVIRONMENTSCREENING_H

#define VOTCA_XTP_ENVIRONMENTSCREENING_H

Definition at line 22 of file environmentscreening.h.