deepmodeling · mohanchen · Nov 26, 2024 · Nov 25, 2024 · Nov 26, 2024 · Nov 26, 2024
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -709,6 +709,7 @@ target_link_libraries(
   hamilt_stodft
   psi
   psi_initializer
+  psi_overall_init
   esolver
   vdw
   device

diff --git a/source/Makefile.Objects b/source/Makefile.Objects
@@ -666,7 +666,7 @@ OBJS_SRCPW=H_Ewald_pw.o\
     symmetry_rhog.o\
     wavefunc.o\
     wf_atomic.o\
-    psiinit.o\
+    psi_init.o\
     elecond.o\
     sto_tool.o\
     sto_elecond.o\

diff --git a/source/module_esolver/esolver_ks_pw.h b/source/module_esolver/esolver_ks_pw.h
@@ -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/psi_init.h"
 
 #include <memory>
 #include <module_base/macros.h>

diff --git a/source/module_hamilt_lcao/module_deepks/test/CMakeLists.txt b/source/module_hamilt_lcao/module_deepks/test/CMakeLists.txt
@@ -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}
 )
 

diff --git a/source/module_hamilt_pw/hamilt_pwdft/CMakeLists.txt b/source/module_hamilt_pw/hamilt_pwdft/CMakeLists.txt
@@ -28,7 +28,6 @@ list(APPEND objects
     VNL_grad_pw.cpp
     wavefunc.cpp
     wf_atomic.cpp
-    psiinit.cpp
     structure_factor.cpp
     structure_factor_k.cpp
     soc.cpp

diff --git a/source/module_psi/CMakeLists.txt b/source/module_psi/CMakeLists.txt
@@ -4,6 +4,12 @@ add_library(
     psi.cpp
 )
 
+add_library(
+    psi_overall_init
+    OBJECT
+    psi_init.cpp
+)
+
 add_library(
   psi_initializer
   OBJECT

diff --git a/...module_hamilt_pw/hamilt_pwdft/psiinit.cpp → source/module_psi/psi_init.cpp b/...module_hamilt_pw/hamilt_pwdft/psiinit.cpp → source/module_psi/psi_init.cpp
@@ -1,4 +1,4 @@
-#include "psiinit.h"
+#include "psi_init.h"
 
 #include "module_base/macros.h"
 #include "module_base/timer.h"

diff --git a/...e/module_hamilt_pw/hamilt_pwdft/psiinit.h → source/module_psi/psi_init.h b/...e/module_hamilt_pw/hamilt_pwdft/psiinit.h → source/module_psi/psi_init.h
diff --git a/source/module_ri/exx_lip.hpp b/source/module_ri/exx_lip.hpp
@@ -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/psi_init.h"
 #include "module_hamilt_pw/hamilt_pwdft/structure_factor.h"
 #include "module_base/tool_title.h"
 #include "module_base/timer.h"
-Original file 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
@@ Expand Down @@