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Refactor: move psiinit file to hsolver folder #5601

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Merged
merged 3 commits into from
Nov 26, 2024
Merged

Refactor: move psiinit file to hsolver folder #5601

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052e18f
move psiinit to esolver
haozhihan Nov 25, 2024
e8a0ade
update file name
haozhihan Nov 26, 2024
7faa220
Merge branch 'develop' into move-psi-init
haozhihan Nov 26, 2024
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1 change: 1 addition & 0 deletions CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -709,6 +709,7 @@ target_link_libraries(
hamilt_stodft
psi
psi_initializer
psi_overall_init
esolver
vdw
device
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2 changes: 1 addition & 1 deletion source/module_esolver/esolver_ks_pw.h
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Expand Up @@ -2,7 +2,7 @@
#define ESOLVER_KS_PW_H
#include "./esolver_ks.h"
#include "module_hamilt_pw/hamilt_pwdft/operator_pw/velocity_pw.h"
#include "module_hamilt_pw/hamilt_pwdft/psiinit.h"
#include "module_psi/psiinit.h"

#include <memory>
#include <module_base/macros.h>
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2 changes: 1 addition & 1 deletion source/module_hamilt_lcao/module_deepks/test/CMakeLists.txt
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Expand Up @@ -14,7 +14,7 @@ target_link_libraries(
neighbor orb io_basic io_advanced relax gint driver esolver hsolver psi elecstate
hamilt_general hamilt_pwdft hamilt_lcao tddft hamilt_ofdft hamilt_stodft planewave
pthread vdw dftu deltaspin hcontainer
deepks device numerical_atomic_orbitals container psi_initializer
deepks device numerical_atomic_orbitals container psi_initializer psi_overall_init
${ABACUS_LINK_LIBRARIES}
)

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2 changes: 1 addition & 1 deletion source/module_hamilt_pw/hamilt_pwdft/CMakeLists.txt
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Expand Up @@ -28,7 +28,7 @@ list(APPEND objects
VNL_grad_pw.cpp
wavefunc.cpp
wf_atomic.cpp
psiinit.cpp
# ../../module_psi/psiinit.cpp
structure_factor.cpp
structure_factor_k.cpp
soc.cpp
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6 changes: 6 additions & 0 deletions source/module_psi/CMakeLists.txt
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Expand Up @@ -4,6 +4,12 @@ add_library(
psi.cpp
)

add_library(
psi_overall_init
OBJECT
psiinit.cpp
)

add_library(
psi_initializer
OBJECT
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0 ...module_hamilt_pw/hamilt_pwdft/psiinit.cpp → source/module_psi/psiinit.cpp
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0 ...e/module_hamilt_pw/hamilt_pwdft/psiinit.h → source/module_psi/psiinit.h
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2 changes: 1 addition & 1 deletion source/module_ri/exx_lip.hpp
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Expand Up @@ -21,7 +21,7 @@
#include "module_elecstate/elecstate.h"
#include "module_basis/module_pw/pw_basis_k.h"
#include "module_cell/module_symmetry/symmetry.h"
#include "module_hamilt_pw/hamilt_pwdft/psiinit.h"
#include "module_psi/psiinit.h"
#include "module_hamilt_pw/hamilt_pwdft/structure_factor.h"
#include "module_base/tool_title.h"
#include "module_base/timer.h"
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