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Merged
mohanchen merged 1 commit into from
Sep 24, 2024
Merged

Fix docs according to #5133 #5169

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16 changes: 8 additions & 8 deletions source/module_hsolver/diago_david.h
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Original file line number Diff line number Diff line change
Expand Up @@ -30,21 +30,19 @@ class DiagoDavid : public DiagH<T, Device>

// declare type of matrix-blockvector functions.
// the function type is defined as a std::function object.
// notice that hpsi and spsi functions require
// !different! order of input and output blockvectors.
/**
* @brief A function type representing the HX function.
*
* This function type is used to define a matrix-blockvector operator H.
* For eigenvalue problem HX = λX or generalized eigenvalue problem HX = λSX,
* this function computes the product of the Hamiltonian matrix H and a blockvector X.
*
* @param[out] X Pointer to input blockvector of type `T*`.
* @param[in] HX Pointer to output blockvector of type `T*`.
* @param[in] neig Number of eigebpairs required.
* @param[in] dim Dimension of matrix.
* @param[in] id_start Start index of blockvector.
* @param[in] id_end End index of blockvector.
* @param[out] X Pointer to input blockvector of type `T*`.
* @param[in] HX Pointer to output blockvector of type `T*`.
* @param[in] nvec Number of eigebpairs, i.e. number of vectors in a block.
* @param[in] dim Dimension of matrix.
* @param[in] id_start Start index of blockvector.
* @param[in] id_end End index of blockvector.
*/
using HPsiFunc = std::function<void(T*, T*, const int, const int, const int, const int)>;

Expand All @@ -60,6 +58,8 @@ class DiagoDavid : public DiagH<T, Device>
* @param[in] nrow Dimension of SX: nbands * nrow.
* @param[in] npw Number of plane waves.
* @param[in] nbands Number of bands.
*
* @note called as spsi(in, out, dim, dim, 1)
*/
using SPsiFunc = std::function<void(T*, T*, const int, const int, const int)>;

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6 changes: 3 additions & 3 deletions source/module_hsolver/hsolver_pw.cpp
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Expand Up @@ -323,7 +323,7 @@ void HSolverPW<T, Device>::hamiltSolvePsiK(hamilt::Hamilt<T, Device>* hm,

if (this->method == "cg")
{
// warp the subspace_func into a lambda function
// wrap the subspace_func into a lambda function
auto ngk_pointer = psi.get_ngk_pointer();
auto subspace_func = [hm, ngk_pointer](const ct::Tensor& psi_in, ct::Tensor& psi_out) {
// psi_in should be a 2D tensor:
Expand Down Expand Up @@ -355,10 +355,10 @@ void HSolverPW<T, Device>::hamiltSolvePsiK(hamilt::Hamilt<T, Device>* hm,
this->diag_iter_max,
this->nproc_in_pool);

// warp the hpsi_func and spsi_func into a lambda function
// wrap the hpsi_func and spsi_func into a lambda function
using ct_Device = typename ct::PsiToContainer<Device>::type;

// warp the hpsi_func and spsi_func into a lambda function
// wrap the hpsi_func and spsi_func into a lambda function
auto hpsi_func = [hm, ngk_pointer](const ct::Tensor& psi_in, ct::Tensor& hpsi_out) {
ModuleBase::timer::tick("DiagoCG_New", "hpsi_func");
// psi_in should be a 2D tensor:
Expand Down