Rename module_md to source_md

Author: Critsium-xy

docs/CONTRIBUTING.md

@@ -80,7 +80,7 @@ For those who are interested in the source code, the following figure shows the
 |-- source_hsolver              The module for solving the Hamiltonian with different diagonalization methods, including CG, Davidson in PW
 |   |                           calculations, and scalapack and genelpa in LCAO calculations.
 |-- module_io                   The module for reading of INPUT files and output properties including band structure, density of states, charge density, etc.
-|-- module_md                   The module for performing molecular dynamics.
+|-- source_md                   The module for performing molecular dynamics.
 |-- source_psi                  The module for defining the wave function and its operations.
 |-- source_relax                The module for performing structural optimization.
 |   |-- relax_new               The module for performing structural optimization with new algorithm, optimized for cell and ion simultaneously.

source/CMakeLists.txt

@@ -8,7 +8,7 @@ add_subdirectory(module_hamilt_lcao)
 add_subdirectory(source_hsolver)
 add_subdirectory(source_basis/module_ao)
 add_subdirectory(source_basis/module_nao)
-add_subdirectory(module_md)
+add_subdirectory(source_md)
 add_subdirectory(source_basis/module_pw)
 add_subdirectory(source_esolver)
 add_subdirectory(module_hamilt_lcao/module_gint)

source/Makefile.Objects

@@ -26,7 +26,7 @@ VPATH=./src_global:\
 ./source_base/module_container/ATen/ops:\
 ./source_base/module_device:\
 ./source_base/module_mixing:\
-./module_md:\
+./source_md:\
 ./source_basis/module_pw:\
 ./source_basis/module_pw/module_fft:\
 ./source_esolver:\

source/module_io/input_conv.cpp

@@ -41,7 +41,7 @@
 #include "source_estate/module_pot/gatefield.h"
 #include "source_hsolver/hsolver_lcao.h"
 #include "source_hsolver/hsolver_pw.h"
-#include "module_md/md_func.h"
+#include "source_md/md_func.h"
 
 #ifdef __LCAO
 std::vector<double> Input_Conv::convert_units(std::string params, double c) {

source/module_io/test/for_testing_input_conv.h

@@ -19,7 +19,7 @@
 #include "source_hsolver/hsolver_lcao.h"
 #include "module_io/berryphase.h"
 #include "module_io/restart.h"
-#include "module_md/md_func.h"
+#include "source_md/md_func.h"
 #include "source_relax/bfgs_basic.h"
 #include "source_relax/ions_move_basic.h"
 #include "source_relax/ions_move_cg.h"

source/source_main/driver_run.cpp

@@ -6,7 +6,7 @@
 #include "module_io/para_json.h"
 #include "module_io/print_info.h"
 #include "module_io/winput.h"
-#include "module_md/run_md.h"
+#include "source_md/run_md.h"
 
 /**
  * @brief This is the driver function which defines the workflow of ABACUS