Move operator_lcao out and rename

Author: Critsium-xy

source/Makefile.Objects

@@ -59,7 +59,7 @@ VPATH=./src_global:\
 ./source_lcao/module_deepks:\
 ./source_lcao/module_dftu:\
 ./source_lcao/module_deltaspin:\
-./source_lcao/hamilt_lcaodft/operator_lcao:\
+./source_lcao/module_operator_lcao:\
 ./source_lcao/module_gint:\
 ./source_lcao/module_gint/temp_gint:\
 ./source_relax:\

source/source_esolver/esolver_dm2rho.cpp

@@ -6,7 +6,7 @@
 #include "source_estate/read_pseudo.h"
 #include "source_lcao/hamilt_lcaodft/LCAO_domain.h"
 #include "source_lcao/hamilt_lcaodft/hamilt_lcao.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
+#include "source_lcao/module_operator_lcao/operator_lcao.h"
 #include "source_io/cube_io.h"
 #include "source_io/io_npz.h"
 #include "source_io/print_info.h"

source/source_esolver/esolver_gets.cpp

@@ -6,7 +6,7 @@
 #include "source_estate/read_pseudo.h"
 #include "source_lcao/hamilt_lcaodft/LCAO_domain.h"
 #include "source_lcao/hamilt_lcaodft/hamilt_lcao.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
+#include "source_lcao/module_operator_lcao/operator_lcao.h"
 #include "source_io/cal_r_overlap_R.h"
 #include "source_io/print_info.h"
 #include "source_io/write_HS_R.h"

source/source_esolver/lcao_before_scf.cpp

@@ -23,8 +23,8 @@
 #include "source_estate/elecstate_lcao.h"
 #include "source_estate/module_dm/cal_dm_psi.h"
 #include "source_lcao/hamilt_lcaodft/LCAO_domain.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
+#include "source_lcao/module_operator_lcao/op_exx_lcao.h"
+#include "source_lcao/module_operator_lcao/operator_lcao.h"
 #include "source_lcao/module_deltaspin/spin_constrain.h"
 #include "source_io/cube_io.h"
 #include "source_io/write_elecstat_pot.h"

source/source_esolver/lcao_others.cpp

@@ -19,8 +19,8 @@
 #include "source_lcao/module_deepks/LCAO_deepks.h"
 #endif
 #include "source_lcao/hamilt_lcaodft/LCAO_domain.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
+#include "source_lcao/module_operator_lcao/op_exx_lcao.h"
+#include "source_lcao/module_operator_lcao/operator_lcao.h"
 #include "source_lcao/module_deltaspin/spin_constrain.h"
 #include "source_io/read_wfc_nao.h"
 #include "source_io/write_elecstat_pot.h"

source/source_io/ctrl_output_lcao.cpp

@@ -13,7 +13,7 @@
 #include "source_io/write_wfc_nao.h" // use ModuleIO::write_wfc_nao() 
 #include "source_io/output_mat_sparse.h" // use ModuleIO::output_mat_sparse() 
 #include "source_io/output_mulliken.h" // use cal_mag()
-#include "source_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.h" // use hamilt::EkineticNew
+#include "source_lcao/module_operator_lcao/ekinetic_new.h" // use hamilt::EkineticNew
 #include "source_io/cal_pLpR.h" // use AngularMomentumCalculator()
 #include "source_lcao/module_deltaspin/spin_constrain.h" // use spinconstrain::SpinConstrain<TK>
 #include "source_io/berryphase.h" // use berryphase

source/source_io/output_mulliken.h

@@ -8,7 +8,7 @@
 #include "source_io/output_dmk.h"
 #include "source_io/output_sk.h"
 #include "source_base/formatter.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/dspin_lcao.h"
+#include "source_lcao/module_operator_lcao/dspin_lcao.h"
 
 #include <map>
 #include <vector>

source/source_io/write_eband_terms.hpp

@@ -2,8 +2,8 @@
 #define WRITE_EBAND_TERMS_HPP
 
 #include "source_io/write_vxc.hpp"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/ekinetic_new.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/nonlocal_new.h"
+#include "source_lcao/module_operator_lcao/ekinetic_new.h"
+#include "source_lcao/module_operator_lcao/nonlocal_new.h"
 #include "source_basis/module_nao/two_center_bundle.h"
 
 namespace ModuleIO

source/source_io/write_vxc.hpp

@@ -4,8 +4,8 @@
 #include "source_base/parallel_reduce.h"
 #include "source_base/module_container/base/third_party/blas.h"
 #include "source_base/scalapack_connector.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h"
+#include "source_lcao/module_operator_lcao/op_dftu_lcao.h"
+#include "source_lcao/module_operator_lcao/veff_lcao.h"
 #include "source_psi/psi.h"
 #include "source_io/write_HS.h"
 #include "source_io/filename.h" // use filename_output function

source/source_io/write_vxc_r.hpp

@@ -2,12 +2,12 @@
 #define __WRITE_VXC_R_H_
 #include "source_io/module_parameter/parameter.h"
 #include "source_base/scalapack_connector.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/op_dftu_lcao.h"
-#include "source_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.h"
+#include "source_lcao/module_operator_lcao/op_dftu_lcao.h"
+#include "source_lcao/module_operator_lcao/veff_lcao.h"
 #include "source_lcao/hamilt_lcaodft/spar_hsr.h"
 #include "source_io/write_HS_sparse.h"
 #ifdef __EXX
-#include "source_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
+#include "source_lcao/module_operator_lcao/op_exx_lcao.h"
 #include "source_lcao/module_ri/RI_2D_Comm.h"
 #endif