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1 change: 1 addition & 0 deletions source/source_base/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -40,6 +40,7 @@ add_library(
mymath.cpp
opt_CG.cpp
opt_DCsrch.cpp
output.cpp
para_gemm.cpp
realarray.cpp
sph_bessel_recursive-d1.cpp
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -5,10 +5,10 @@
#ifndef OUTPUT_H
#define OUTPUT_H

#include "../../source_base/realarray.h"
#include "../../source_base/matrix3.h"
#include "../../source_base/complexmatrix.h"
#include "../../source_base/matrix.h"
#include "realarray.h"
#include "matrix3.h"
#include "complexmatrix.h"
#include "matrix.h"
class output
{
public:
Expand Down
1 change: 1 addition & 0 deletions source/source_cell/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -23,6 +23,7 @@ add_library(
cell_index.cpp
check_atomic_stru.cpp
update_cell.cpp
magnetism.cpp
bcast_cell.cpp
read_stru.cpp
print_cell.cpp
Expand Down
2 changes: 1 addition & 1 deletion source/source_cell/atom_spec.cpp
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
#include "atom_spec.h"
#include "source_io/module_parameter/parameter.h"
#include "source_io/module_output/output.h"
#include "source_base/output.h"
#include <cstdlib>

Atom::Atom()
Expand Down
File renamed without changes.
File renamed without changes.
4 changes: 2 additions & 2 deletions source/source_cell/module_neighbor/test/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -13,13 +13,13 @@ AddTest(
TARGET MODULE_CELL_NEIGHBOR_sltk_grid
LIBS parameter ${math_libs} base device cell_info
SOURCES sltk_grid_test.cpp ../sltk_grid.cpp ../sltk_atom.cpp
../../../source_io/module_output/output.cpp

)

AddTest(
TARGET MODULE_CELL_NEIGHBOR_sltk_atom_arrange
LIBS parameter ${math_libs} base device cell_info
SOURCES sltk_atom_arrange_test.cpp ../sltk_atom_arrange.cpp ../sltk_grid_driver.cpp ../sltk_grid.cpp
../sltk_atom.cpp
../../../source_io/module_output/output.cpp

)
2 changes: 1 addition & 1 deletion source/source_cell/module_symmetry/symm_analysis.cpp
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
#include "symmetry.h"
#include "source_io/module_parameter/parameter.h"
#include "source_io/module_output/output.h"
#include "source_base/output.h"

using namespace ModuleSymmetry;

Expand Down
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
#include "symmetry_test_cases.h"
#include "source_io/module_output/output.h"
#include "source_base/output.h"
#include "mpi.h"
/************************************************
* unit test of class Symmetry
Expand All @@ -20,7 +20,6 @@
* is different from its point group.
***********************************************/
// mock the useless functions
void output::printM3(std::ofstream &ofs, const std::string &description, const ModuleBase::Matrix3 &m){}
pseudo::pseudo()
{
}
Expand Down
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
#include "symmetry_test_cases.h"
#include "source_io/module_output/output.h"
#include "source_base/output.h"
#include "mpi.h"

/************************************************
Expand All @@ -9,7 +9,6 @@
*
***********************************************/
// mock the useless functions
void output::printM3(std::ofstream& ofs, const std::string& description, const ModuleBase::Matrix3& m) {}
pseudo::pseudo() {}
pseudo::~pseudo() {}
Atom::Atom() {}
Expand Down
2 changes: 1 addition & 1 deletion source/source_cell/pseudo.cpp
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
#include "pseudo.h"
#include "source_base/tool_title.h"
#include "source_io/module_output/output.h"
#include "source_base/output.h"
#include <cstdint>

pseudo::pseudo()
Expand Down
5 changes: 2 additions & 3 deletions source/source_cell/read_atom_species.cpp
Original file line number Diff line number Diff line change
@@ -1,10 +1,9 @@
#include "read_stru.h"

#include <sstream>

#include "source_io/module_parameter/parameter.h"
#include "source_base/tool_title.h"
#ifdef __EXX
#include "source_lcao/module_ri/serialization_cereal.h"
#endif
#include "source_hamilt/module_xc/exx_info.h" // use GlobalC::exx_info

namespace unitcell
Expand Down
2 changes: 1 addition & 1 deletion source/source_cell/sep.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@
#include "source_base/global_variable.h"
#include "source_base/parallel_common.h"
#include "source_base/tool_title.h"
#include "source_io/module_output/output.h"
#include "source_base/output.h"

#include <fstream>
#include <sstream>
Expand Down
20 changes: 10 additions & 10 deletions source/source_cell/test/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -46,40 +46,40 @@ AddTest(
TARGET MODULE_CELL_read_pp
LIBS parameter ${math_libs} base device
SOURCES read_pp_test.cpp ../atom_pseudo.cpp ../pseudo.cpp ../read_pp.cpp ../read_pp_complete.cpp ../read_pp_upf201.cpp ../read_pp_upf100.cpp ../read_pp_vwr.cpp ../read_pp_blps.cpp
../../source_io/module_output/output.cpp

)

AddTest(
TARGET MODULE_CELL_pseudo_nc
LIBS parameter ${math_libs} base device
SOURCES pseudo_nc_test.cpp ../pseudo.cpp ../atom_pseudo.cpp ../read_pp.cpp ../read_pp_complete.cpp ../read_pp_upf201.cpp ../read_pp_upf100.cpp ../read_pp_vwr.cpp
../read_pp_blps.cpp ../../source_io/module_output/output.cpp
../read_pp_blps.cpp
)

AddTest(
TARGET MODULE_CELL_atom_pseudo
LIBS parameter ${math_libs} base device
SOURCES atom_pseudo_test.cpp ../atom_pseudo.cpp ../pseudo.cpp ../read_pp.cpp ../read_pp_complete.cpp ../read_pp_upf201.cpp ../read_pp_upf100.cpp
../read_pp_vwr.cpp ../read_pp_blps.cpp ../../source_io/module_output/output.cpp
../read_pp_vwr.cpp ../read_pp_blps.cpp
)

AddTest(
TARGET MODULE_CELL_atom_spec
LIBS parameter ${math_libs} base device
SOURCES atom_spec_test.cpp ../atom_spec.cpp ../atom_pseudo.cpp ../pseudo.cpp ../read_pp.cpp ../read_pp_complete.cpp ../read_pp_upf201.cpp
../read_pp_upf100.cpp ../read_pp_vwr.cpp ../read_pp_blps.cpp ../../source_io/module_output/output.cpp
../read_pp_upf100.cpp ../read_pp_vwr.cpp ../read_pp_blps.cpp
)

AddTest(
TARGET MODULE_CELL_klist_test
LIBS parameter ${math_libs} base device symmetry
SOURCES klist_test.cpp ../klist.cpp ../parallel_kpoints.cpp ../../source_io/module_output/output.cpp ../k_vector_utils.cpp
SOURCES klist_test.cpp ../klist.cpp ../parallel_kpoints.cpp ../k_vector_utils.cpp
)

AddTest(
TARGET MODULE_CELL_klist_test_para1
LIBS parameter ${math_libs} base device symmetry
SOURCES klist_test_para.cpp ../klist.cpp ../parallel_kpoints.cpp ../../source_io/module_output/output.cpp ../k_vector_utils.cpp
SOURCES klist_test_para.cpp ../klist.cpp ../parallel_kpoints.cpp ../k_vector_utils.cpp
)

add_test(NAME MODULE_CELL_klist_test_para4
Expand Down Expand Up @@ -139,26 +139,26 @@ add_test(NAME MODULE_CELL_parallel_kpoints_test
AddTest(
TARGET MODULE_CELL_unitcell_test
LIBS parameter ${math_libs} base device cell_info symmetry
SOURCES unitcell_test.cpp ../../source_io/module_output/output.cpp ../../source_estate/cal_ux.cpp
SOURCES unitcell_test.cpp ../../source_estate/cal_ux.cpp

)

AddTest(
TARGET MODULE_CELL_unitcell_test_readpp
LIBS parameter ${math_libs} base device cell_info
SOURCES unitcell_test_readpp.cpp ../../source_io/module_output/output.cpp
SOURCES unitcell_test_readpp.cpp
)

AddTest(
TARGET MODULE_CELL_unitcell_test_para
LIBS parameter ${math_libs} base device cell_info
SOURCES unitcell_test_para.cpp ../../source_io/module_output/output.cpp
SOURCES unitcell_test_para.cpp
)

AddTest(
TARGET MODULE_CELL_unitcell_test_setupcell
LIBS parameter ${math_libs} base device cell_info
SOURCES unitcell_test_setupcell.cpp ../../source_io/module_output/output.cpp
SOURCES unitcell_test_setupcell.cpp
)

add_test(NAME MODULE_CELL_unitcell_test_parallel
Expand Down
2 changes: 1 addition & 1 deletion source/source_cell/test/klist_test.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@
#include "source_cell/pseudo.h"
#include "source_cell/setup_nonlocal.h"
#include "source_cell/unitcell.h"
#include "source_estate/magnetism.h"
#include "source_cell/magnetism.h"
#include "source_pw/module_pwdft/vl_pw.h"
#include "source_pw/module_pwdft/vnl_pw.h"
#include "source_pw/module_pwdft/parallel_grid.h"
Expand Down
2 changes: 1 addition & 1 deletion source/source_cell/test/klist_test_para.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@
#include "source_cell/pseudo.h"
#include "source_cell/setup_nonlocal.h"
#include "source_cell/unitcell.h"
#include "source_estate/magnetism.h"
#include "source_cell/magnetism.h"
#include "source_pw/module_pwdft/vl_pw.h"
#include "source_pw/module_pwdft/vnl_pw.h"
#include "source_pw/module_pwdft/parallel_grid.h"
Expand Down
11 changes: 1 addition & 10 deletions source/source_cell/test/read_atoms_helper_test.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@
#include "../read_atoms_helper.h"
#include "source_base/vector3.h"
#include "source_base/matrix3.h"
#include "source_io/module_output/output.h"
#include "source_base/output.h"
#include <sstream>
#include <fstream>

Expand All @@ -15,15 +15,6 @@ namespace elecstate {
}
}

// Mock output class methods
void output::printM3(std::ofstream& ofs, const std::string& description, const ModuleBase::Matrix3& m) {
// Mock implementation
}

void output::printrm(std::ofstream& ofs, const std::string& description, const ModuleBase::matrix& m, const double& limit) {
// Mock implementation
}

// Mock InfoNonlocal class
InfoNonlocal::InfoNonlocal() {}
InfoNonlocal::~InfoNonlocal() {}
Expand Down
2 changes: 1 addition & 1 deletion source/source_cell/test_pw/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -13,7 +13,7 @@ AddTest(
SOURCES unitcell_test_pw.cpp ../unitcell.cpp ../read_atoms.cpp ../read_atoms_helper.cpp ../atom_spec.cpp ../update_cell.cpp ../bcast_cell.cpp
../atom_pseudo.cpp ../pseudo.cpp ../read_pp.cpp ../read_pp_complete.cpp ../read_pp_upf201.cpp ../read_pp_upf100.cpp
../read_stru.cpp ../read_atom_species.cpp
../read_pp_vwr.cpp ../read_pp_blps.cpp ../../source_io/module_output/output.cpp
../read_pp_vwr.cpp ../read_pp_blps.cpp
../../source_estate/read_pseudo.cpp ../../source_estate/cal_nelec_nband.cpp
../../source_estate/read_orb.cpp ../print_cell.cpp
../../source_estate/cal_wfc.cpp ../sep.cpp ../sep_cell.cpp
Expand Down
2 changes: 1 addition & 1 deletion source/source_cell/unitcell.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@
#include "unitcell.h"
#include "bcast_cell.h"
#include "source_base/tool_quit.h"
#include "source_io/module_output/output.h"
#include "source_base/output.h"
#include "source_io/module_parameter/parameter.h"
#include "source_cell/read_stru.h"
#include "source_base/atom_in.h"
Expand Down
2 changes: 1 addition & 1 deletion source/source_cell/unitcell.h
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@

#include "source_base/global_function.h"
#include "source_cell/sep_cell.h"
#include "source_estate/magnetism.h"
#include "source_cell/magnetism.h"
#include "module_symmetry/symmetry.h"
#include "source_cell/module_neighlist/atom_provider.h"

Expand Down
2 changes: 1 addition & 1 deletion source/source_cell/update_cell.cpp
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
#include "update_cell.h"
#include "bcast_cell.h"
#include "source_base/global_function.h"
#include "source_io/module_output/output.h"
#include "source_base/output.h"

namespace unitcell
{
Expand Down
1 change: 0 additions & 1 deletion source/source_estate/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -37,7 +37,6 @@ list(APPEND objects
module_charge/symmetry_rho.cpp
module_charge/symmetry_rhog.cpp
fp_energy.cpp
magnetism.cpp
occupy.cpp
cal_ux.cpp
read_orb.cpp
Expand Down
2 changes: 1 addition & 1 deletion source/source_estate/module_charge/charge.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,7 @@
#include "source_base/timer.h"
#include "source_base/tool_threading.h"
#include "source_cell/unitcell.h"
#include "source_estate/magnetism.h"
#include "source_cell/magnetism.h"
#include "source_hamilt/module_xc/xc_functional.h"
#include "source_io/module_parameter/parameter.h"

Expand Down
2 changes: 1 addition & 1 deletion source/source_estate/module_charge/charge_init.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@
#include "source_base/parallel_reduce.h"
#include "source_base/timer.h"
#include "source_base/tool_threading.h"
#include "source_estate/magnetism.h"
#include "source_cell/magnetism.h"
#include "source_pw/module_pwdft/parallel_grid.h"
#include "source_io/module_output/cube_io.h"
#include "source_io/module_chgpot/rhog_io.h"
Expand Down
2 changes: 1 addition & 1 deletion source/source_estate/module_dm/test/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ AddTest(
${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/hcontainer.cpp
${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/atom_pair.cpp
${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp
${ABACUS_SOURCE_DIR}/source_io/module_output/output.cpp

)

AddTest(
Expand Down
8 changes: 4 additions & 4 deletions source/source_estate/test/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -26,7 +26,7 @@ AddTest(
AddTest(
TARGET MODULE_ESTATE_elecstate_magnetism
LIBS parameter ${math_libs} base device
SOURCES elecstate_magnetism_test.cpp ../magnetism.cpp
SOURCES elecstate_magnetism_test.cpp ../../source_cell/magnetism.cpp
)

AddTest(
Expand Down Expand Up @@ -86,7 +86,7 @@ AddTest(
TARGET MODULE_ESTATE_charge_test
LIBS parameter ${math_libs} planewave_serial base device cell_info
SOURCES charge_test.cpp ../module_charge/charge.cpp
../../source_io/module_output/output.cpp

)

AddTest(
Expand All @@ -95,14 +95,14 @@ AddTest(
SOURCES charge_mixing_test.cpp
../module_charge/charge_mixing.cpp ../module_charge/charge_mixing_dmr.cpp ../module_charge/charge_mixing_residual.cpp
../module_charge/charge_mixing_preconditioner.cpp ../module_charge/charge_mixing_rho.cpp
../module_charge/charge_mixing_uspp.cpp ../../source_io/module_output/output.cpp
../module_charge/charge_mixing_uspp.cpp
)

AddTest(
TARGET MODULE_ESTATE_charge_extra
LIBS parameter ${math_libs} base device cell_info
SOURCES charge_extra_test.cpp ../module_charge/charge_extra.cpp ../../source_io/module_output/read_cube.cpp ../../source_io/module_output/write_cube.cpp
../../source_io/module_output/output.cpp ../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp
../../source_base/module_fft/fft_bundle.cpp ../../source_base/module_fft/fft_cpu.cpp
)

AddTest(
Expand Down
2 changes: 1 addition & 1 deletion source/source_estate/test/elecstate_magnetism_test.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -25,7 +25,7 @@
*/

#define private public
#include "source_estate/magnetism.h"
#include "source_cell/magnetism.h"
#undef private
Charge::Charge()
{
Expand Down
1 change: 0 additions & 1 deletion source/source_io/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,6 @@ list(APPEND objects
module_bessel/numerical_basis.cpp
module_bessel/numerical_basis_jyjy.cpp
module_bessel/numerical_descriptor.cpp
module_output/output.cpp
module_output/print_info.cpp
module_output/read_cube.cpp
module_chgpot/rhog_io.cpp
Expand Down
2 changes: 1 addition & 1 deletion source/source_io/module_json/test/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -7,5 +7,5 @@ AddTest(
TARGET MODULE_IO_JSON_OUTPUT_TEST
LIBS parameter ${math_libs} base device cell_info
SOURCES para_json_test.cpp ../general_info.cpp ../init_info.cpp ../readin_info.cpp
../para_json.cpp ../abacusjson.cpp ../../module_output/output.cpp
../para_json.cpp ../abacusjson.cpp
)
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