We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent c4c4be9 commit 411ecd0Copy full SHA for 411ecd0
source/source_lcao/module_rt/boundary_fix.cpp
@@ -13,6 +13,8 @@ void reset_matrix_boundary(const UnitCell& ucell,
13
psi::Psi<std::complex<double>>* psi_last,
14
const int len_hs)
15
{
16
+ ModuleBase::TITLE("module_rt", "reset_matrix_boundary");
17
+ ModuleBase::timer::tick("module_rt", "reset_matrix_boundary");
18
const ModuleBase::Vector3<int> zero = {0, 0, 0};
19
for(int iat = 0; iat < ucell.nat; iat++)
20
@@ -42,6 +44,7 @@ void reset_matrix_boundary(const UnitCell& ucell,
42
44
}
43
45
46
47
48
return;
49
50
0 commit comments