Refactor: rename write_pot to write_elecstat_pot

YuLiu98 · Jul 30, 2024 · e22e3a0 · e22e3a0
1 parent b9eb9f8
commit e22e3a0
Show file tree

Hide file tree

Showing 18 changed files with 32 additions and 36 deletions.
diff --git a/source/Makefile.Objects b/source/Makefile.Objects
@@ -491,7 +491,7 @@ OBJS_IO=input_conv.o\
     write_wfc_pw.o\
     winput.o\
     write_cube.o\
-    write_pot.o\
+    write_elecstat_pot.o\
     write_dipole.o\
     td_current_io.o\
     write_wfc_r.o\

diff --git a/source/module_esolver/esolver_ks_lcao.cpp b/source/module_esolver/esolver_ks_lcao.cpp
@@ -12,8 +12,8 @@
 #include "module_io/to_qo.h"
 #include "module_io/write_HS.h"
 #include "module_io/write_eband_terms.hpp"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_istate_info.h"
-#include "module_io/write_pot.h"
 #include "module_io/write_proj_band_lcao.h"
 #include "module_io/write_vxc.hpp"
 #include "module_parameter/parameter.h"

diff --git a/source/module_esolver/esolver_ks_lcaopw.cpp b/source/module_esolver/esolver_ks_lcaopw.cpp
@@ -23,6 +23,7 @@
 //---------------------------------------------------
 #include "module_base/memory.h"
 #include "module_elecstate/elecstate_pw.h"
+#include "module_hamilt_pw/hamilt_pwdft/hamilt_lcaopw.h"
 #include "module_hamilt_pw/hamilt_pwdft/hamilt_pw.h"
 #include "module_hsolver/diago_iter_assist.h"
 #include "module_hsolver/hsolver_lcaopw.h"
@@ -34,15 +35,13 @@
 #include "module_io/rho_io.h"
 #include "module_io/to_wannier90_pw.h"
 #include "module_io/winput.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_r.h"
+#include "module_parameter/parameter.h"
 
 #include <ATen/kernels/blas.h>
 #include <ATen/kernels/lapack.h>
-
 #include <sys/time.h>
-#include "module_hamilt_pw/hamilt_pwdft/hamilt_lcaopw.h"
-#include "module_parameter/parameter.h"
 #ifdef __LCAO
 #include "module_io/write_vxc_lip.hpp"
 #endif

diff --git a/source/module_esolver/esolver_ks_pw.cpp b/source/module_esolver/esolver_ks_pw.cpp
@@ -37,7 +37,7 @@
 #include "module_io/numerical_descriptor.h"
 #include "module_io/to_wannier90_pw.h"
 #include "module_io/winput.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_r.h"
 #include "module_parameter/parameter.h"
 #ifdef USE_PAW

diff --git a/source/module_esolver/esolver_of.cpp b/source/module_esolver/esolver_of.cpp
@@ -2,7 +2,7 @@
 
 #include "module_io/cube_io.h"
 #include "module_io/output_log.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 //-----------temporary-------------------------
 #include "module_base/global_function.h"
 #include "module_elecstate/module_charge/symmetry_rho.h"

diff --git a/source/module_esolver/lcao_before_scf.cpp b/source/module_esolver/lcao_before_scf.cpp
@@ -28,7 +28,7 @@
 #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h"
 #include "module_io/cube_io.h"
 #include "module_io/read_wfc_nao.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_nao.h"
 #ifdef __EXX
 #include "module_io/restart_exx_csr.h"

diff --git a/source/module_esolver/lcao_gets.cpp b/source/module_esolver/lcao_gets.cpp
@@ -12,6 +12,7 @@
 #ifdef __DEEPKS
 #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h"
 #endif
+#include "module_base/formatter.h"
 #include "module_elecstate/elecstate_lcao.h"
 #include "module_elecstate/module_dm/cal_dm_psi.h"
 #include "module_hamilt_general/module_ewald/H_Ewald_pw.h"
@@ -20,11 +21,10 @@
 #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
 #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
 #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h"
+#include "module_io/read_wfc_nao.h"
 #include "module_io/rho_io.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_nao.h"
-#include "module_io/read_wfc_nao.h"
-#include "module_base/formatter.h"
 #ifdef __EXX
 #include "module_io/restart_exx_csr.h"
 #endif

diff --git a/source/module_esolver/lcao_nscf.cpp b/source/module_esolver/lcao_nscf.cpp
@@ -14,11 +14,12 @@
 #include "module_io/to_wannier90_lcao.h"
 #include "module_io/to_wannier90_lcao_in_pw.h"
 #include "module_io/write_HS_R.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_parameter/parameter.h"
 #ifdef __DEEPKS
 #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h"
 #endif
+#include "module_base/formatter.h"
 #include "module_elecstate/elecstate_lcao.h"
 #include "module_elecstate/module_dm/cal_dm_psi.h"
 #include "module_hamilt_general/module_ewald/H_Ewald_pw.h"
@@ -27,11 +28,10 @@
 #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
 #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
 #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h"
+#include "module_io/read_wfc_nao.h"
 #include "module_io/rho_io.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_nao.h"
-#include "module_io/read_wfc_nao.h"
-#include "module_base/formatter.h"
 #ifdef __EXX
 #include "module_io/restart_exx_csr.h"
 #endif

diff --git a/source/module_esolver/lcao_others.cpp b/source/module_esolver/lcao_others.cpp
@@ -17,6 +17,7 @@
 #ifdef __DEEPKS
 #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h"
 #endif
+#include "module_base/formatter.h"
 #include "module_elecstate/elecstate_lcao.h"
 #include "module_elecstate/module_dm/cal_dm_psi.h"
 #include "module_hamilt_general/module_ewald/H_Ewald_pw.h"
@@ -25,11 +26,10 @@
 #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
 #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
 #include "module_hamilt_lcao/module_deltaspin/spin_constrain.h"
+#include "module_io/read_wfc_nao.h"
 #include "module_io/rho_io.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_nao.h"
-#include "module_io/read_wfc_nao.h"
-#include "module_base/formatter.h"
 #ifdef __EXX
 #include "module_io/restart_exx_csr.h"
 #endif

diff --git a/source/module_esolver/pw_fun.cpp b/source/module_esolver/pw_fun.cpp
@@ -37,7 +37,7 @@
 #include "module_io/rho_io.h"
 #include "module_io/to_wannier90_pw.h"
 #include "module_io/winput.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_r.h"
 #include "module_parameter/parameter.h"
 #ifdef USE_PAW

diff --git a/source/module_esolver/pw_init_after_vc.cpp b/source/module_esolver/pw_init_after_vc.cpp
@@ -37,7 +37,7 @@
 #include "module_io/rho_io.h"
 #include "module_io/to_wannier90_pw.h"
 #include "module_io/winput.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_r.h"
 #include "module_parameter/parameter.h"
 #ifdef USE_PAW

diff --git a/source/module_esolver/pw_init_globalc.cpp b/source/module_esolver/pw_init_globalc.cpp
@@ -37,7 +37,7 @@
 #include "module_io/rho_io.h"
 #include "module_io/to_wannier90_pw.h"
 #include "module_io/winput.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_r.h"
 #include "module_parameter/parameter.h"
 #ifdef USE_PAW

diff --git a/source/module_esolver/pw_nscf.cpp b/source/module_esolver/pw_nscf.cpp
@@ -37,7 +37,7 @@
 #include "module_io/rho_io.h"
 #include "module_io/to_wannier90_pw.h"
 #include "module_io/winput.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_r.h"
 #include "module_parameter/parameter.h"
 #ifdef USE_PAW

diff --git a/source/module_esolver/pw_others.cpp b/source/module_esolver/pw_others.cpp
@@ -37,7 +37,7 @@
 #include "module_io/rho_io.h"
 #include "module_io/to_wannier90_pw.h"
 #include "module_io/winput.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_r.h"
 #include "module_parameter/parameter.h"
 #ifdef USE_PAW

diff --git a/source/module_esolver/set_matrix_grid.cpp b/source/module_esolver/set_matrix_grid.cpp
@@ -1,23 +1,21 @@
 #include "esolver_ks_lcao.h"
-
-#include "module_elecstate/module_charge/symmetry_rho.h"
-#include "module_esolver/esolver_ks_lcao.h"
-#include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h"
-#include "module_hamilt_pw/hamilt_pwdft/global.h"
 #include "module_base/timer.h"
 #include "module_cell/module_neighbor/sltk_atom_arrange.h"
 #include "module_cell/module_neighbor/sltk_grid_driver.h"
-#include "module_parameter/parameter.h"
 #include "module_elecstate/elecstate_lcao.h"
+#include "module_elecstate/module_charge/symmetry_rho.h"
 #include "module_elecstate/module_dm/cal_dm_psi.h"
+#include "module_esolver/esolver_ks_lcao.h"
 #include "module_hamilt_lcao/hamilt_lcaodft/LCAO_domain.h"
+#include "module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h"
 #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.h"
 #include "module_hamilt_lcao/hamilt_lcaodft/operator_lcao/operator_lcao.h"
+#include "module_hamilt_pw/hamilt_pwdft/global.h"
+#include "module_io/read_wfc_nao.h"
 #include "module_io/rho_io.h"
-#include "module_io/write_pot.h"
+#include "module_io/write_elecstat_pot.h"
 #include "module_io/write_wfc_nao.h"
-#include "module_io/read_wfc_nao.h"
-
+#include "module_parameter/parameter.h"
 
 namespace ModuleESolver
 {

diff --git a/source/module_io/CMakeLists.txt b/source/module_io/CMakeLists.txt
@@ -19,7 +19,7 @@ list(APPEND objects
     binstream.cpp
     write_wfc_pw.cpp
     write_cube.cpp
-    write_pot.cpp
+    write_elecstat_pot.cpp
     write_dipole.cpp
     td_current_io.cpp
     write_wfc_r.cpp

diff --git a/source/module_io/write_pot.cpp → source/module_io/write_elecstat_pot.cpp b/source/module_io/write_pot.cpp → source/module_io/write_elecstat_pot.cpp
@@ -1,12 +1,11 @@
-#include "write_pot.h"
-
 #include "module_base/element_name.h"
 #include "module_base/timer.h"
 #include "module_elecstate/potentials/H_Hartree_pw.h"
 #include "module_elecstate/potentials/efield.h"
 #include "module_hamilt_pw/hamilt_pwdft/global.h"
 #include "module_io/cube_io.h"
 #include "module_io/output_log.h"
+#include "write_elecstat_pot.h"
 
 namespace ModuleIO
 {

diff --git a/source/module_io/write_pot.h → source/module_io/write_elecstat_pot.h b/source/module_io/write_pot.h → source/module_io/write_elecstat_pot.h