madness::AtomCore Struct Reference

#include <corepotential.h>

Collaboration diagram for madness::AtomCore:

Public Member Functions
	AtomCore ()
unsigned int	n_orbital () const
template<typename Archive >
void	serialize (Archive &ar)

Public Attributes
unsigned int	atomic_number
unsigned int	ncore
std::vector< CoreOrbital >	orbital
CorePotential	potential

Constructor & Destructor Documentation

madness::AtomCore::AtomCore ( )

inline

Member Function Documentation

unsigned int madness::AtomCore::n_orbital ( ) const

inline

References ncore.

template<typename Archive >

void madness::AtomCore::serialize ( Archive &  ar )

inline

References ncore, and potential.

Member Data Documentation

unsigned int madness::AtomCore::atomic_number

unsigned int madness::AtomCore::ncore

Referenced by n_orbital(), and serialize().

std::vector<CoreOrbital> madness::AtomCore::orbital

Referenced by madness::CorePotentialManager::core_derivative(), madness::CorePotentialManager::core_eval(), madness::CorePotentialManager::get_core_bc(), and madness::CorePotentialManager::get_core_l().

CorePotential madness::AtomCore::potential

Referenced by madness::CorePotentialManager::potential(), madness::CorePotentialManager::potential_derivative(), and serialize().

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The documentation for this struct was generated from the following file:

• chem/corepotential.h