mohanchen · Oct 11, 2026 · Oct 11, 2026 · Oct 11, 2026 · Oct 12, 2026 · Oct 12, 2026
diff --git a/AGENTS.md b/AGENTS.md
@@ -89,6 +89,16 @@ rules. Read the complete governance document before making or reviewing changes:
   `docs/advanced/`, `toolchain/`, `Dockerfile.gnu`, `Dockerfile.intel`, and
   `Dockerfile.cuda`.
 
+## File Move / Split Checklist
+
+When moving, splitting, or deleting a `.cpp`/`.h`, update **all** build surfaces:
+
+1. `source/Makefile.Objects` (legacy Makefile object lists)
+2. All C++ `CMakeLists.txt`
+3. `python/pyabacus/src/*/CMakeLists.txt` — pyabacus has independent hardcoded source lists that do not track the main CMake build
+
+When splitting a function into a new `.cpp`, if its callers span LCAO and PW, put it in an unconditionally-built OBJECT library, not inside `if(ENABLE_LCAO)`.
+
 ## Build And Test Entry Points
 
 - Prefer the repository CMake/CTest flow already used by CI. For focused local

diff --git a/python/pyabacus/src/ModuleNAO/CMakeLists.txt b/python/pyabacus/src/ModuleNAO/CMakeLists.txt
@@ -8,6 +8,7 @@ list(APPEND _naos
     ${NAO_PATH}/radial_collection.cpp
     ${NAO_PATH}/radial_set.cpp
     ${NAO_PATH}/real_gaunt_table.cpp
+    ${NAO_PATH}/smoothgen.cpp
     ${NAO_PATH}/sphbes_radials.cpp
     ${NAO_PATH}/two_center_bundle.cpp
     ${NAO_PATH}/two_center_integrator.cpp

diff --git a/source/CMakeLists.txt b/source/CMakeLists.txt
@@ -733,6 +733,7 @@ target_link_libraries(
     elecstate
     module_pwdft
     module_proj
+    nao_smoothgen
     module_ofdft
     module_stodft
     module_dfpt

diff --git a/source/Makefile.Objects b/source/Makefile.Objects
@@ -144,7 +144,6 @@ OBJS_BASE=assoc_laguerre.o\
     complexmatrix.o\
     clebsch_gordan_coeff.o\
     element_basis_index.o\
-    export.o\
     inverse_matrix.o\
     gather_math_lib_info.o\
     global_file.o\
@@ -557,7 +556,6 @@ OBJS_ORBITAL=orb_atomic.o\
       two_center_bundle.o\
       two_center_integrator.o\
       two_center_table.o\
-      projgen.o\
 
 OBJS_PSI=psi.o\
 
@@ -992,6 +990,7 @@ OBJS_SRCPW=h_ewald_pw.o\
     onsite_proj_tools_force.o\
     onsite_proj_tools_stress.o\
     onsite_proj_print.o\
+    smoothgen.o\
     vsep_pw.o
 
 OBJS_VDW=vdw.o\

diff --git a/source/source_base/CMakeLists.txt b/source/source_base/CMakeLists.txt
@@ -17,7 +17,6 @@ add_library(
     complexarray.cpp
     complexmatrix.cpp
     element_basis_index.cpp
-    export.cpp
     inverse_matrix.cpp
     gather_math_lib_info.cpp
     global_file.cpp
@@ -61,7 +60,6 @@ add_library(
     sph_bessel_tf.cpp
     cubic_spline.cpp
     parallel_2d.cpp
-    projgen.cpp
     module_out/binstream.cpp
     module_out/filename.cpp
     module_out/sparse_matrix.cpp

diff --git a/source/source_base/complexmatrix.h b/source/source_base/complexmatrix.h
@@ -5,8 +5,6 @@
 
 #include "matrix.h"
 
-#ifdef _MCD_CHECK
-#endif
 namespace ModuleBase
 {
 class ComplexMatrix

diff --git a/source/source_base/export.cpp b/source/source_base/export.cpp
diff --git a/source/source_base/export.h b/source/source_base/export.h
diff --git a/source/source_base/main.cpp b/source/source_base/main.cpp
diff --git a/source/source_base/matrix.h b/source/source_base/matrix.h
@@ -3,9 +3,6 @@
 
 // Peize Lin update 2018-07-29
 
-#ifdef _MCD_CHECK
-#endif
-
 #include <ostream>
 #include<cassert>
 

diff --git a/source/source_base/matrix3.h b/source/source_base/matrix3.h
@@ -1,10 +1,6 @@
 #ifndef MatriX3_H
 #define MatriX3_H
 
-#ifdef _MCD_CHECK
-#include "mcd.h"
-#endif
-
 #include "matrix.h"
 #include "vector3.h"
 

diff --git a/source/source_base/matrix_wrapper.h b/source/source_base/matrix_wrapper.h
@@ -3,8 +3,6 @@
 // DATE : 2018-07-31
 //==========================================================
 
-#ifndef MATRIX_WRAPPER_TIANHE2
-
 #ifndef MATRIX_WRAPPER_H
 #define MATRIX_WRAPPER_H
 
@@ -86,7 +84,3 @@ inline Matrix_Wrapper& Matrix_Wrapper::operator=( Matrix_Wrapper&&m )
 }
 
 #endif
-
-#else
-#include "matrix_wrapper_tianhe2.h"
-#endif
diff --git a/source/source_base/matrix_wrapper_tianhe2.h b/source/source_base/matrix_wrapper_tianhe2.h