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lines changed Original file line number Diff line number Diff line change @@ -737,3 +737,4 @@ OBJS_TENSOR=tensor.o\
737737OBJS_RDMFT=rdmft.o\
738738 rdmft_tools.o\
739739 cal_V_rdmft.o\
740+ update_state_rdmft.o\
Original file line number Diff line number Diff line change @@ -5,6 +5,7 @@ if(ENABLE_LCAO)
55 rdmft.cpp
66 rdmft_tools.cpp
77 cal_V_rdmft.cpp
8+ update_state_rdmft.cpp
89 )
910endif ()
1011
Original file line number Diff line number Diff line change 33// DATE : 2024-10-30
44// ==========================================================
55
6-
7-
8- #include " module_hamilt_general/operator.h"
9- #include " module_hamilt_lcao/module_hcontainer/hcontainer.h"
10- #include " module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
11- #include " module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
12- #include " module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.h"
13- #include " module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.h"
14- #include " module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h"
15-
16-
17- // used by Exx&LRI
18- #ifdef __EXX
19- #include " module_ri/RI_2D_Comm.h"
20- #include " module_ri/Exx_LRI.h"
21- #endif
22-
23-
24-
6+ #include " rdmft.h"
7+
8+ // #ifdef __EXX
9+ // #include "module_ri/RI_2D_Comm.h"
10+ // #include "module_ri/Exx_LRI.h"
11+ // #endif
12+ // #include "module_hamilt_general/operator.h"
13+ // #include "module_hamilt_lcao/module_hcontainer/hcontainer.h"
14+ // #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
15+ // #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
16+ // #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.h"
17+ // #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.h"
18+ // #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h"
2519
2620namespace rdmft
2721{
2822
2923
30-
3124template <typename TK, typename TR>
3225void RDMFT<TK, TR>::cal_V_TV()
3326{
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