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Commit 3f16667

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abacus_fixer
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refactor(dftu): phase 5 - move dftu_pw.cpp to source_pw/module_pwdft
- git mv source_lcao/module_dftu/dftu_pw.cpp -> source_pw/module_pwdft/dftu_pw.cpp - dftu_pw.cpp: include dftu_base.h instead of dftu.h (cal_occ_pw is now a Plus_U_Base method, no LCAO types needed) - source_lcao/module_dftu/CMakeLists.txt: remove dftu_pw.cpp from dftu OBJECT library - source_pw/module_pwdft/CMakeLists.txt: add dftu_pw.cpp to module_pwdft OBJECT library - Makefile.Objects: add dftu_pw.o to OBJS_SRCPW (was missing entirely from OBJS_DFTU before) Verified: make -j 30 in build_max_para_test succeeds; all dftu unit tests pass (dftu_core_test: 10, dftu_pw_test: 11, dftu_operator_test: 15, MODULE_LCAO_operator_dftu_test: 2).
1 parent 6de17c8 commit 3f16667

4 files changed

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source/Makefile.Objects

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@@ -742,6 +742,7 @@ OBJS_SRCPW=h_ewald_pw.o\
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setup_pwwfc.o\
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update_cell_pw.o\
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dftu_base.o\
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dftu_pw.o\
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setup_dftu_pw.o\
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deltaspin_pw.o\
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force_pw.o\

source/source_lcao/module_dftu/CMakeLists.txt

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@@ -7,7 +7,6 @@ list(APPEND objects
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dftu_tools.cpp
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dftu_occup.cpp
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dftu_hamilt.cpp
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dftu_pw.cpp
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)
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add_library(

source/source_pw/module_pwdft/CMakeLists.txt

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@@ -13,6 +13,7 @@ list(APPEND objects
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op_pw_exx_ace.cpp
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op_pw_exx_pot.cpp
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dftu_base.cpp
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dftu_pw.cpp
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setup_pot.cpp
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setup_pwrho.cpp
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setup_pwwfc.cpp

source/source_lcao/module_dftu/dftu_pw.cpp renamed to source/source_pw/module_pwdft/dftu_pw.cpp

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#include "dftu.h"
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#include "source_pw/module_pwdft/dftu_base.h"
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#include "source_pw/module_pwdft/onsite_proj.h"
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#include "source_base/parallel_reduce.h"
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#include "source_io/module_parameter/parameter.h"

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