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fix read_wfc
1 parent 000cc1d commit cc3ca5f

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4 files changed

+6
-5
lines changed

4 files changed

+6
-5
lines changed

source/source_esolver/esolver_ks_lcao_tddft.cpp

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -104,6 +104,7 @@ void ESolver_KS_LCAO_TDDFT<TR, Device>::before_all_runners(UnitCell& ucell, cons
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this->pelec->klist->ik2iktot,
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this->pelec->klist->get_nkstot(),
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PARAM.inp.nspin,
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0,
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TD_info::estep_shift))
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{
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ModuleBase::WARNING_QUIT("ESolver_KS_LCAO", "read electronic wave functions failed");

source/source_io/read_wfc_nao.cpp

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -30,8 +30,8 @@ bool ModuleIO::read_wfc_nao(
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const std::vector<int> &ik2iktot,
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const int nkstot,
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const int nspin,
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const int nstep,
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const int skip_band)
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const int skip_band,
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const int nstep)
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{
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ModuleBase::TITLE("ModuleIO", "read_wfc_nao");
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ModuleBase::timer::tick("ModuleIO", "read_wfc_nao");

source/source_io/read_wfc_nao.h

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -44,8 +44,8 @@ bool read_wfc_nao(
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const std::vector<int> &ik2iktot,
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const int nkstot,
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const int nspin,
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const int nstep = -1,
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const int skip_band = 0);
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const int skip_band = 0,
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const int nstep = -1);
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} // namespace ModuleIO
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source/source_io/test/read_wfc_nao_test.cpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -131,7 +131,7 @@ TEST_F(ReadWfcNaoTest, ReadWfcNaoPart)
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// Act
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ModuleIO::read_wfc_nao(PARAM.sys.global_readin_dir, ParaV, psid,
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&(pelec), ik2iktot, nkstot, nspin, nstep, skip_band);
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&(pelec), ik2iktot, nkstot, nspin, skip_band, nstep);
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// Assert
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EXPECT_NEAR(pelec.ekb(0, 1), 7.4141254894954844445464914e-01, 1e-5);

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