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Merge pull request #158 from jingan-181/develop
Fix the problem that HR and SR sparse matrices are not output when out_mat_hs2=1.
2 parents 4197223 + 0c22c90 commit a634397

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-2
lines changed

2 files changed

+5
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source/module_esolver/esolver_ks_lcao.cpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -906,7 +906,7 @@ namespace ModuleESolver
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GlobalC::dmft.out_to_dmft(this->LOWF, *this->UHM.LM);
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}
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if (Pdiag_Double::out_mat_hsR)
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if (hsolver::HSolverLCAO::out_mat_hsR)
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{
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this->output_HS_R(); //LiuXh add 2019-07-15
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}

source/src_lcao/ELEC_evolve.cpp

Lines changed: 4 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -7,6 +7,9 @@
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#include "../src_parallel/parallel_reduce.h"
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#include "../module_base/timer.h"
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//-----HSolver ElecState Hamilt--------
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#include "module_hsolver/hsolver_lcao.h"
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ELEC_evolve::ELEC_evolve() {};
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ELEC_evolve::~ELEC_evolve() {};
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@@ -129,7 +132,7 @@ void ELEC_evolve::evolve_psi(
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} // end k
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// LiuXh modify 2019-07-15*/
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if (!Pdiag_Double::out_mat_hsR)
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if (!hsolver::HSolverLCAO::out_mat_hsR)
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{
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uhm.GK.destroy_pvpR();
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}

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