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Atomic-orbital Based Ab-initio Computation at UStc
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xc_kernel.h File Reference
#include "source_basis/module_pw/pw_basis.h"
#include "source_cell/unitcell.h"
#include "source_pw/module_pwdft/parallel_grid.h"
#include "source_estate/module_charge/charge.h"
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Classes

class  LR::KernelXC
 Calculate the exchange-correlation (XC) kernel ($f_{xc}=\delta^2E_xc/\delta\rho^2$) and store its components. More...
 

Namespaces

namespace  LR
 

Macros

#define CREF(x)   const std::vector<double>& x = x##_;
 
#define CREF3(x)   const std::vector<ModuleBase::Vector3<double>>& x = x##_;
 

Macro Definition Documentation

◆ CREF

#define CREF (   x)    const std::vector<double>& x = x##_;

◆ CREF3

#define CREF3 (   x)    const std::vector<ModuleBase::Vector3<double>>& x = x##_;