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mohanchenabacus_fixer
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abacus_fixer
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move hcontainer from source_lcao to source_hamilt (#7708)
Co-authored-by: abacus_fixer <mohanchen@pku.eud.cn>
1 parent 408b661 commit 39c688e

145 files changed

Lines changed: 197 additions & 197 deletions

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‎python/pyabacus/src/ModuleESolver/CMakeLists.txt‎

Lines changed: 1 addition & 1 deletion
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@@ -27,7 +27,7 @@ target_include_directories(_esolver_pack PRIVATE
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${ESTATE_PATH}/module_dm
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${ESTATE_PATH}/potentials
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${LCAO_PATH}
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${LCAO_PATH}/module_hcontainer
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${HAMILT_PATH}/module_hcontainer
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${HAMILT_PATH}
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${CELL_PATH}
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${PSI_PATH}

‎python/pyabacus/src/ModuleESolver/py_esolver_lcao.cpp‎

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@@ -20,7 +20,7 @@
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#include "source_estate/elecstate.h"
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#include "source_estate/module_dm/density_matrix.h"
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#include "source_lcao/hamilt_lcao.h"
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#include "source_lcao/module_hcontainer/hcontainer.h"
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#include "source_hamilt/module_hcontainer/hcontainer.h"
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#include "source_basis/module_ao/parallel_orbitals.h"
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#include <complex>

‎source/source_estate/module_dm/density_matrix.h‎

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@@ -5,7 +5,7 @@
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#include "source_cell/module_neighbor/sltk_grid_driver.h"
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#include "source_lcao/record_adj.h"
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#include "source_lcao/module_hcontainer/hcontainer.h"
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#include "source_hamilt/module_hcontainer/hcontainer.h"
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namespace elecstate
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{

‎source/source_estate/module_dm/test/CMakeLists.txt‎

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Original file line numberDiff line numberDiff line change
@@ -12,9 +12,9 @@ AddTest(
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TARGET MODULE_ESTATE_dm_io_test_serial
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LIBS parameter base device cell_info
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SOURCES test_dm_io.cpp ../density_matrix.cpp ../density_matrix_io.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp
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)
@@ -23,28 +23,28 @@ AddTest(
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TARGET MODULE_ESTATE_dm_constructor_test
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LIBS parameter base device
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SOURCES test_dm_constructor.cpp ../density_matrix.cpp ../density_matrix_io.cpp tmp_mocks.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp
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)
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AddTest(
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TARGET MODULE_ESTATE_dm_init_test
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LIBS parameter base device
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SOURCES test_dm_R_init.cpp ../density_matrix.cpp ../density_matrix_io.cpp tmp_mocks.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp
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)
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AddTest(
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TARGET MODULE_ESTATE_dm_cal_DMR_test
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LIBS parameter base device
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SOURCES test_cal_dm_R.cpp ../density_matrix.cpp ../density_matrix_io.cpp tmp_mocks.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_lcao/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/base_matrix.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/hcontainer.cpp
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${ABACUS_SOURCE_DIR}/source_hamilt/module_hcontainer/atom_pair.cpp
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${ABACUS_SOURCE_DIR}/source_basis/module_ao/parallel_orbitals.cpp
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)

‎source/source_estate/module_dm/test/test_cal_dm_R.cpp‎

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@@ -3,7 +3,7 @@
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#include "gmock/gmock.h"
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#include "gtest/gtest.h"
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#include "source_estate/module_dm/density_matrix.h"
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#include "source_lcao/module_hcontainer/hcontainer.h"
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#include "source_hamilt/module_hcontainer/hcontainer.h"
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#include "source_cell/klist.h"
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/************************************************

‎source/source_estate/module_dm/test/test_cal_dmk_psi.cpp‎

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@@ -3,7 +3,7 @@
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#include "gmock/gmock.h"
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#include "gtest/gtest.h"
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#include "source_estate/module_dm/density_matrix.h"
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#include "source_lcao/module_hcontainer/hcontainer.h"
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#include "source_hamilt/module_hcontainer/hcontainer.h"
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#include "source_cell/klist.h"
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/************************************************

‎source/source_estate/module_dm/test/test_dm_R_init.cpp‎

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@@ -4,7 +4,7 @@
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#include "gtest/gtest.h"
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#define private public
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#include "source_estate/module_dm/density_matrix.h"
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#include "source_lcao/module_hcontainer/hcontainer.h"
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#include "source_hamilt/module_hcontainer/hcontainer.h"
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#include "source_cell/klist.h"
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#undef private
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/************************************************

‎source/source_estate/module_dm/test/test_dm_constructor.cpp‎

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@@ -3,7 +3,7 @@
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#include "gmock/gmock.h"
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#include "gtest/gtest.h"
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#include "source_estate/module_dm/density_matrix.h"
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#include "source_lcao/module_hcontainer/hcontainer.h"
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#include "source_hamilt/module_hcontainer/hcontainer.h"
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#include "source_cell/klist.h"
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/************************************************
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* unit test of DensityMatrix constructor

‎source/source_hamilt/CMakeLists.txt‎

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@@ -1,6 +1,7 @@
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add_subdirectory(module_vdw)
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add_subdirectory(module_surchem)
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add_subdirectory(module_xc)
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add_subdirectory(module_hcontainer)
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list(APPEND objects
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operator.cpp

source/source_lcao/module_hcontainer/CMakeLists.txt renamed to source/source_hamilt/module_hcontainer/CMakeLists.txt

File renamed without changes.

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