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Refactor: remove dpks_cal_e_delta_band.cpp
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4 files changed

+8
-72
lines changed

4 files changed

+8
-72
lines changed

source/Makefile.Objects

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@@ -250,7 +250,6 @@ OBJS_ESOLVER=esolver.o\
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OBJS_ESOLVER_LCAO=esolver_ks_lcao.o\
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esolver_ks_lcao_tddft.o\
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dpks_cal_e_delta_band.o\
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set_matrix_grid.o\
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lcao_before_scf.o\
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esolver_gets.o\

source/module_esolver/CMakeLists.txt

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@@ -17,7 +17,6 @@ if(ENABLE_LCAO)
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list(APPEND objects
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esolver_ks_lcao.cpp
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esolver_ks_lcao_tddft.cpp
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dpks_cal_e_delta_band.cpp
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set_matrix_grid.cpp
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lcao_before_scf.cpp
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esolver_gets.cpp

source/module_esolver/dpks_cal_e_delta_band.cpp

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This file was deleted.

source/module_esolver/esolver_ks_lcao.cpp

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@@ -879,7 +879,14 @@ void ESolver_KS_LCAO<TK, TR>::iter_finish(const int istep, int& iter)
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const std::vector<std::vector<TK>>& dm
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= dynamic_cast<const elecstate::ElecStateLCAO<TK>*>(this->pelec)->get_DM()->get_DMK_vector();
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this->dpks_cal_e_delta_band(dm);
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if (PARAM.globalv.gamma_only_local)
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{
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GlobalC::ld.cal_e_delta_band(dm);
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}
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else
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{
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GlobalC::ld.cal_e_delta_band_k(dm, this->kv.get_nks());
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}
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}
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#endif
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