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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
lr_util_xc.hpp File Reference
#include "lr_util.h"
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Namespaces

namespace  LR_Util
 

Functions

template<typename T >
void LR_Util::grad (const T *rhor, ModuleBase::Vector3< T > *gradrho, const ModulePW::PW_Basis &rho_basis, const double &tpiba)
 
template<typename T >
void LR_Util::grad (const std::vector< T > &rhor, std::vector< ModuleBase::Vector3< T > > &gradrho, const ModulePW::PW_Basis &rho_basis, const double &tpiba)
 
template<typename T >
void LR_Util::lapl (const T *rhor, T *lapn, const ModulePW::PW_Basis &rho_basis, const double &tpiba2)
 
template<typename T >
void LR_Util::lapl (const std::vector< T > &rhor, std::vector< T > &lapn, const ModulePW::PW_Basis &rho_basis, const double &tpiba2)