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Update docs
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source/module_hsolver/diago_bpcg.h

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@@ -56,9 +56,9 @@ class DiagoBPCG
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void init_iter(const psi::Psi<T, Device> &psi_in);
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/**
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* @brief Diagonalize the Hamiltonian using the CG method.
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* @brief Diagonalize the Hamiltonian using the BPCG method.
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*
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* This function is an override function for the CG method. It is called by the HsolverPW::solve() function.
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* This function is called by the HsolverPW::solve() function.
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*
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* @param phm_in A pointer to the hamilt::Hamilt object representing the Hamiltonian operator.
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* @param psi The input wavefunction psi matrix with [dim: n_basis x n_band, column major].

source/module_hsolver/diago_cg.h

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@@ -40,7 +40,7 @@ class DiagoCG final
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// virtual void init(){};
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// refactor hpsi_info
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// this is the override function diag() for CG method
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// this is the diag() function for CG method
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void diag(const Func& hpsi_func, const Func& spsi_func, ct::Tensor& psi, ct::Tensor& eigen, const ct::Tensor& prec = {});
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private:

source/module_hsolver/hsolver_pw.cpp

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@@ -228,7 +228,7 @@ void HSolverPW<T, Device>::solve(hamilt::Hamilt<T, Device>* pHamilt,
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const std::initializer_list<std::string> _methods = {"cg", "dav", "dav_subspace", "bpcg"};
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if (std::find(std::begin(_methods), std::end(_methods), this->method) == std::end(_methods))
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{
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ModuleBase::WARNING_QUIT("HSolverPW::solve", "This method of DiagH is not supported!");
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ModuleBase::WARNING_QUIT("HSolverPW::solve", "This type of eigensolver is not supported!");
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}
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// prepare for the precondition of diagonalization

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