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Refactor: remove ORB_table_beta & ORB_table_alpha and decouple center2_orb-orb & module_io from ORB_table_phi (#4485)
* remove ORB_table_beta & ORB_table_alpha and decouple center2_orb-orb with ORB_table_phi * remove out-dated headers * [pre-commit.ci lite] apply automatic fixes * apply kmesh_times to spherical Bessel table initialization in ORB_table_phi * [pre-commit.ci lite] apply automatic fixes * decouple module_io from ORB_table_phi * [pre-commit.ci lite] apply automatic fixes --------- Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
1 parent dce250b commit aa20bb4

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-5126
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source/Makefile.Objects

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@@ -341,8 +341,6 @@ OBJS_ORBITAL=ORB_atomic.o\
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ORB_nonlocal.o\
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ORB_nonlocal_lm.o\
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ORB_read.o\
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ORB_table_alpha.o\
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ORB_table_beta.o\
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ORB_table_phi.o\
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parallel_2d.o\
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parallel_orbitals.o\

source/module_basis/module_ao/CMakeLists.txt

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@@ -10,8 +10,6 @@ if(ENABLE_LCAO)
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ORB_nonlocal.cpp
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ORB_nonlocal_lm.cpp
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ORB_read.cpp
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ORB_table_alpha.cpp
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ORB_table_beta.cpp
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ORB_table_phi.cpp
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parallel_2d.cpp
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parallel_orbitals.cpp

source/module_basis/module_ao/ORB_control.cpp

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@@ -145,13 +145,7 @@ void ORB_control::clear_after_ions(ORB_gen_tables& OGT,
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{
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ModuleBase::TITLE("ORB_control", "clear_after_ions");
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OGT.MOT.Destroy_Table(orb);
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OGT.tbeta.Destroy_Table_Beta(orb.get_ntype(), orb.Phi, nproj_);
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// caoyu add 2021-03-18
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if (deepks_setorb)
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{
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OGT.talpha.Destroy_Table_Alpha(orb);
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}
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return;
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}
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