Skip to content

Commit

Permalink
fix invalid lr_ethr
Browse files Browse the repository at this point in the history
  • Loading branch information
maki49 committed May 30, 2024
1 parent 5fea1e3 commit 52f12f1
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions source/module_beyonddft/hsolver_lrtd.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -57,8 +57,8 @@ namespace hsolver
{
// 3. set precondition and diagethr
for (int i = 0;i < psi.get_nk() * psi.get_nbasis();++i)precondition[i] = static_cast<Real>(1.0);
// T ethr = this->set_diagether(1, 1, static_cast<T>(1e-2));
std::cout << "ethr: " << this->diag_ethr << std::endl;
hsolver::DiagoIterAssist<T, Device>::PW_DIAG_THR = this->diag_ethr;
std::cout << "ethr: " << hsolver::DiagoIterAssist<T, Device>::PW_DIAG_THR << std::endl;
// 4. solve Hamiltonian
if (this->method == "dav_subspace")
{
Expand Down

0 comments on commit 52f12f1

Please sign in to comment.