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Update gint_gamma.h (#5550)
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source/module_hamilt_lcao/module_gint/gint_gamma.h

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Original file line numberDiff line numberDiff line change
@@ -23,37 +23,28 @@ class Gint_Gamma : public Gint
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{
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public:
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// Gint_Gamma();
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// ~Gint_Gamma();
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/// @brief move operator for the next ESolver to directly use its infomation
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/// @param rhs
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/// @return *this
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//! @brief move operator for the next ESolver to directly use its infomation
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//! @param rhs
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//! @return *this
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Gint_Gamma& operator=(Gint_Gamma&& rhs);
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//------------------------------------------------------
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// in gint_gamma_vl.cpp
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//------------------------------------------------------
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// there is an additional step in calculating vlocal for gamma point
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// namely the redistribution of Hamiltonian from grid to 2D block format
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// hence we have an additional layer outside the unified interface
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//! in gint_gamma_vl.cpp
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//! there is an additional step in calculating vlocal for gamma point
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//! namely the redistribution of Hamiltonian from grid to 2D block format
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//! hence we have an additional layer outside the unified interface
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void cal_vlocal(Gint_inout* inout, const bool new_e_iteration);
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//------------------------------------------------------
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// in gint_gamma_env.cpp
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//------------------------------------------------------
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// calcualte the envelope function
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//! in gint_gamma_env.cpp
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//! calcualte the electronic wave functions via grid integral
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void cal_env(const double* wfc, double* rho,UnitCell &ucell);
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//------------------------------------------------------
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// in veff_lcao.cpp
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//------------------------------------------------------
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/// transfer this->hRGint to Veff::hR
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//! transfer this->hRGint to Veff::hR
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void transfer_pvpR(hamilt::HContainer<double>* hR,const UnitCell* ucell);
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private:
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double*** DM = nullptr; //pointer to LOC.DM
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//! pointer to density matrix
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double*** DM = nullptr;
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};
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