deepmodeling · dyzheng · Jan 15, 2023 · Jan 13, 2023 · Jan 13, 2023 · Jan 13, 2023
diff --git a/source/CMakeLists.txt b/source/CMakeLists.txt
@@ -30,8 +30,6 @@ add_library(
     OBJECT
     driver.cpp
     driver_run.cpp
-    input.cpp
-    input_conv.cpp
 )
 
 list(APPEND device_srcs

diff --git a/source/Makefile.Objects b/source/Makefile.Objects
@@ -89,8 +89,6 @@ ${OBJS_DFTU}\
 
 OBJS_MAIN=main.o\
     driver.o\
-    input.o \
-    input_conv.o\
     driver_run.o\
 
 OBJS_BASE=abfs-vector3_order.o\
@@ -330,7 +328,9 @@ OBJS_XC=xc_functional.o\
     xc_funct_corr_gga.o\
     xc_funct_hcth.o\
 
-OBJS_IO=berryphase.o\
+OBJS_IO=input.o\
+    input_conv.o\
+    berryphase.o\
     bessel_basis.o\
     cal_test.o\
     energy_dos_pw.o\

diff --git a/source/driver.cpp b/source/driver.cpp
@@ -1,7 +1,7 @@
 #include "driver.h"
 
-#include "input.h"
-#include "input_conv.h"
+#include "module_io/input.h"
+#include "module_io/input_conv.h"
 #include "src_pw/global.h"
 #ifdef __LCAO
 #include "src_lcao/global_fp.h"

diff --git a/source/driver_run.cpp b/source/driver_run.cpp
@@ -1,6 +1,6 @@
 #include "driver.h"
 #include "src_pw/global.h"
-#include "input.h"
+#include "module_io/input.h"
 #include "module_io/winput.h"
 #include "module_neighbor/sltk_atom_arrange.h"
 #include "module_io/print_info.h"

diff --git a/source/module_cell/read_cell_pseudopots.cpp b/source/module_cell/read_cell_pseudopots.cpp
@@ -1,6 +1,6 @@
 #include "unitcell.h"
 #include "../src_parallel/parallel_common.h"
-#include "../input.h"
+#include "module_io/input.h"
 #ifdef __LCAO
 //#include "../module_orbital/ORB_read.h" // to use 'ORB' -- mohan 2021-01-30
 #endif

diff --git a/source/module_elecstate/potentials/H_TDDFT_pw.cpp b/source/module_elecstate/potentials/H_TDDFT_pw.cpp
@@ -1,6 +1,6 @@
 #include "H_TDDFT_pw.h"
 
-#include "../../input.h"
+#include "module_io/input.h"
 #include "module_base/constants.h"
 #include "module_base/timer.h"
 #include "src_lcao/ELEC_evolve.h"

diff --git a/source/module_elecstate/potentials/H_TDDFT_pw.h b/source/module_elecstate/potentials/H_TDDFT_pw.h
@@ -2,7 +2,7 @@
 #define H_TDDFT_PW_H
 
 #include "pot_base.h"
-#include "../../input.h"
+#include "module_io/input.h"
 
 namespace elecstate
 {

diff --git a/source/module_elecstate/test/updaterhok_pw_test.h b/source/module_elecstate/test/updaterhok_pw_test.h
@@ -18,7 +18,7 @@
 #include "src_pw/pw_complement.h"
 #include "src_pw/structure_factor.h"
 #include "src_pw/VNL_in_pw.h"
-#include "input.h"
+#include "module_io/input.h"
 #include "src_pw/energy.h"
 #include "module_xc/xc_functional.h"
 #include "module_pw/pw_basis_k.h"

diff --git a/source/module_esolver/esolver.h b/source/module_esolver/esolver.h
@@ -1,7 +1,7 @@
 #ifndef ESOLVER_H
 #define ESOLVER_H
 
-#include "../input.h"
+#include "module_io/input.h"
 #include "../module_cell/unitcell.h"
 #include "../src_pw/energy.h"
 #include "../module_base/matrix.h"

diff --git a/source/module_io/CMakeLists.txt b/source/module_io/CMakeLists.txt
@@ -1,4 +1,6 @@
 list(APPEND objects
+    input.cpp
+    input_conv.cpp
     berryphase.cpp
     bessel_basis.cpp
     cal_test.cpp

diff --git a/source/input.cpp → source/module_io/input.cpp b/source/input.cpp → source/module_io/input.cpp
@@ -3,7 +3,7 @@
 // DATE : 2008-11-6
 //==========================================================
 // #include "global.h"
-#include "input.h"
+#include "module_io/input.h"
 
 #include "module_base/global_file.h"
 #include "module_base/global_function.h"

diff --git a/source/input.h → source/module_io/input.h b/source/input.h → source/module_io/input.h
diff --git a/source/input_conv.cpp → source/module_io/input_conv.cpp b/source/input_conv.cpp → source/module_io/input_conv.cpp
@@ -1,5 +1,5 @@
-#include "input_conv.h"
-#include "input.h"
+#include "module_io/input_conv.h"
+#include "module_io/input.h"
 #include "module_base/global_function.h"
 #include "module_base/global_variable.h"
 #include "module_cell/unitcell.h"

diff --git a/source/input_conv.h → source/module_io/input_conv.h b/source/input_conv.h → source/module_io/input_conv.h
diff --git a/source/module_io/print_info.cpp b/source/module_io/print_info.cpp
@@ -1,5 +1,5 @@
 #include "print_info.h"
-#include "../input.h"
+#include "module_io/input.h"
 #include "../module_base/global_variable.h"
 
 Print_Info::Print_Info(){}

diff --git a/source/module_io/test/CMakeLists.txt b/source/module_io/test/CMakeLists.txt
@@ -6,7 +6,7 @@ remove_definitions(-D__ROCM)
 AddTest(
   TARGET input_test
   LIBS ${math_libs} base device
-  SOURCES input_test.cpp ../../input.cpp ../../src_parallel/parallel_reduce.cpp ../../src_parallel/parallel_global.cpp ../../src_parallel/parallel_common.cpp
+  SOURCES input_test.cpp ../input.cpp ../../src_parallel/parallel_reduce.cpp ../../src_parallel/parallel_global.cpp ../../src_parallel/parallel_common.cpp
 )
 
 install(FILES INPUT STRU DESTINATION ${CMAKE_CURRENT_BINARY_DIR})

diff --git a/source/module_io/test/input_test.cpp b/source/module_io/test/input_test.cpp
@@ -15,7 +15,7 @@
  */
 
 #define private public
-#include "../../input.h"
+#include "module_io/input.h"
 
 class InputTest : public testing::Test
 {

diff --git a/source/module_io/wf_io.cpp b/source/module_io/wf_io.cpp
@@ -2,7 +2,7 @@
 #include "rwstream.h"
 #include "module_base/tool_title.h"
 #include "module_base/global_variable.h"
-#include "input.h"
+#include "module_io/input.h"
 #include "../src_parallel/parallel_global.h"
 #ifdef __MPI
 #include "mpi.h"

diff --git a/source/module_io/write_input.cpp b/source/module_io/write_input.cpp
@@ -1,4 +1,4 @@
-#include "../input.h"
+#include "module_io/input.h"
 #include "../module_base/global_function.h"
 #include "../module_base/global_variable.h"
 

diff --git a/source/module_md/run_md.cpp b/source/module_md/run_md.cpp
@@ -5,7 +5,7 @@
 #include "FIRE.h"
 #include "Nose_Hoover.h"
 #include "Langevin.h"
-#include "../input.h"
+#include "module_io/input.h"
 #include "../module_io/print_info.h"
 #include "../module_base/timer.h"
 

diff --git a/source/module_md/test/CMakeLists.txt b/source/module_md/test/CMakeLists.txt
@@ -3,7 +3,7 @@ add_definitions(-D__CMD -D__NORMAL)
 
 list(APPEND depend_files 
   ../MD_func.cpp
-  ../../input.cpp
+  ../../module_io/input.cpp
   ../../module_cell/unitcell.cpp
   ../../module_cell/atom_spec.cpp
   ../../module_cell/atom_pseudo.cpp

diff --git a/source/module_md/test/setcell.h b/source/module_md/test/setcell.h
@@ -4,7 +4,7 @@
 #ifndef SETCELL_H
 #define SETCELL_H
 
-#include "input.h"
+#include "module_io/input.h"
 #include "module_cell/unitcell.h"
 #include "module_neighbor/sltk_atom_arrange.h"
 #include "module_neighbor/sltk_grid_driver.h"

diff --git a/source/module_orbital/ORB_control.h b/source/module_orbital/ORB_control.h
@@ -1,7 +1,7 @@
 #ifndef ORB_CONTROL_H 
 #define ORB_CONTROL_H 
 
-#include "input.h"
+#include "module_io/input.h"
 #include "module_cell/unitcell.h"
 #include "parallel_orbitals.h"
 #include "ORB_gen_tables.h"

diff --git a/source/module_relax/relax_old/variable_cell.cpp b/source/module_relax/relax_old/variable_cell.cpp
@@ -1,6 +1,6 @@
 #include "variable_cell.h"
 #include "src_pw/global.h"
-#include "input.h"
+#include "module_io/input.h"
 
 Variable_Cell::Variable_Cell(){}
 Variable_Cell::~Variable_Cell(){}

diff --git a/source/module_relax/relax_old/variable_cell.h b/source/module_relax/relax_old/variable_cell.h
@@ -7,7 +7,7 @@
 
 #include "module_base/global_function.h"
 #include "module_base/global_variable.h"
-#include "input.h"
+#include "module_io/input.h"
 #include "module_esolver/esolver.h"
 
 class Variable_Cell

diff --git a/source/module_vdw/vdwd2_parameters.h b/source/module_vdw/vdwd2_parameters.h
@@ -8,7 +8,7 @@
 #define VDWD2_PARAMETERS_H
 
 #include <map>
-#include "input.h"
+#include "module_io/input.h"
 #include "module_cell/unitcell.h"
 #include "module_vdw/vdw_parameters.h"
 

diff --git a/source/module_vdw/vdwd3_parameters.h b/source/module_vdw/vdwd3_parameters.h
@@ -7,7 +7,7 @@
 #ifndef VDWD3_PARAMETERS_H
 #define VDWD3_PARAMETERS_H
 
-#include "input.h"
+#include "module_io/input.h"
 #include "module_vdw/vdw_parameters.h"
 
 namespace vdw

diff --git a/source/src_lcao/FORCE_STRESS.h b/source/src_lcao/FORCE_STRESS.h
@@ -7,7 +7,7 @@
 #include "FORCE_k.h"
 //#include "./force_lcao_gamma.h"
 #include "../src_pw/stress_func.h"
-#include "../input_conv.h"
+#include "module_io/input_conv.h"
 #include "../src_pw/forces.h"
 #include "module_psi/psi.h"
 

diff --git a/source/src_lcao/LCAO_evolve.cpp b/source/src_lcao/LCAO_evolve.cpp
@@ -1,6 +1,6 @@
 #include "LCAO_evolve.h"
 
-#include "../input.h"
+#include "module_io/input.h"
 #include "../module_base/scalapack_connector.h"
 #include "../module_io/write_HS.h"
 #include "../src_pw/global.h"

diff --git a/source/src_lcao/dmft.h b/source/src_lcao/dmft.h
@@ -5,7 +5,7 @@
 #ifndef DFT_DMFT_INTERFACE
 #define DFT_DMFT_INTERFACE
 
-#include "../input.h"
+#include "module_io/input.h"
 #include "../module_cell/unitcell.h"
 #include "../module_base/complexmatrix.h"
 #include "src_lcao/LCAO_matrix.h"