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last save before move the functions about update_state from rdmft.cpp to update_state_rdmft.cpp
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6 files changed

+363
-513
lines changed

6 files changed

+363
-513
lines changed

source/Makefile.Objects

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@@ -737,3 +737,4 @@ OBJS_TENSOR=tensor.o\
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OBJS_RDMFT=rdmft.o\
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rdmft_tools.o\
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cal_V_rdmft.o\
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update_state_rdmft.o\

source/module_rdmft/CMakeLists.txt

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@@ -5,6 +5,7 @@ if(ENABLE_LCAO)
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rdmft.cpp
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rdmft_tools.cpp
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cal_V_rdmft.cpp
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update_state_rdmft.cpp
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)
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endif()
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source/module_rdmft/cal_V_rdmft.cpp

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// DATE : 2024-10-30
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//==========================================================
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#include "module_hamilt_general/operator.h"
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#include "module_hamilt_lcao/module_hcontainer/hcontainer.h"
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#include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
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#include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
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#include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.h"
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#include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.h"
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#include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h"
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// used by Exx&LRI
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#ifdef __EXX
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#include "module_ri/RI_2D_Comm.h"
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#include "module_ri/Exx_LRI.h"
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#endif
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#include "rdmft.h"
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// #ifdef __EXX
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// #include "module_ri/RI_2D_Comm.h"
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// #include "module_ri/Exx_LRI.h"
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// #endif
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// #include "module_hamilt_general/operator.h"
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// #include "module_hamilt_lcao/module_hcontainer/hcontainer.h"
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// #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
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// #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
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// #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.h"
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// #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.h"
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// #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h"
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namespace rdmft
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{
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template <typename TK, typename TR>
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void RDMFT<TK, TR>::cal_V_TV()
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{

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