Rename hamilt_ofdft to module_ofdft

Author: Critsium-xy

CMakeLists.txt

@@ -736,7 +736,7 @@ target_link_libraries(
   elecstate
   hamilt_general
   hamilt_pwdft
-  hamilt_ofdft
+  module_ofdft
   hamilt_stodft
   psi
   psi_initializer

docs/CONTRIBUTING.md

@@ -54,27 +54,27 @@ For those who are interested in the source code, the following figure shows the
 |   |-- module_neighbor         The module for finding the neighbors of each atom in the unit cell.
 |   |-- module_paw              The module for performing PAW calculations.
 |   |-- module_symmetry         The module for finding the symmetry operations of the unit cell.
-|-- source_estate            The module for defining the electronic state and its operations.
+|-- source_estate               The module for defining the electronic state and its operations.
 |   |-- module_charge           The module for calculating the charge density, charge mixing
 |   |-- potentials              The module for calculating the potentials, including Hartree, exchange-correlation, local pseudopotential, etc.
 |-- source_esolver              The module defining task-specific driver of corresponding workflow for evaluating energies, forces, etc., including lj, dp, ks, sdft, ofdft, etc.
 |   |                           TDDFT, Orbital-free DFT, etc.
-|-- source_hamilt       The module for defining general Hamiltonian that can be used both in PW and LCAO calculations.
+|-- source_hamilt               The module for defining general Hamiltonian that can be used both in PW and LCAO calculations.
 |   |-- module_ewald            The module for calculating the Ewald summation.
 |   |-- module_surchem          The module for calculating the surface charge correction.
 |   |-- module_vdw              The module for calculating the van der Waals correction.
 |   |-- module_xc               The module for calculating the exchange-correlation energy and potential.
-|-- source_lcao          The module for defining the Hamiltonian in LCAO calculations.
+|-- source_lcao                 The module for defining the Hamiltonian in LCAO calculations.
 |   |-- hamilt_lcaodft          The module for defining the Hamiltonian in LCAO-DFT calculations.
 |   |   |-- operator_lcao       The module for defining the operators in LCAO-DFT calculations.
 |   |-- module_deepks           The module for defining the Hamiltonian in DeepKS calculations.
 |   |-- module_dftu             The module for defining the Hamiltonian in DFT+U calculations.
 |   |-- module_gint             The module for performing grid integral in LCAO calculations.
 |   |-- module_hcontainer       The module for storing the Hamiltonian matrix in LCAO calculations.
-|   |-- module_rt            The module for defining the Hamiltonian in TDDFT calculations.
+|   |-- module_rt               The module for defining the Hamiltonian in TDDFT calculations.
 |   `-- module_ri               The module for performing RI calculations.
-|-- source_pw            The module for defining the Hamiltonian in PW calculations.
-|   |-- hamilt_ofdft            The module for defining the Hamiltonian in OFDFT calculations.
+|-- source_pw                   The module for defining the Hamiltonian in PW calculations.
+|   |-- module_ofdft            The module for defining the Hamiltonian in OFDFT calculations.
 |   |-- hamilt_pwdft            The module for defining the Hamiltonian in PW-DFT calculations.
 |   |   |-- operator_pw         The module for defining the operators in PW-DFT calculations.
 |   `-- hamilt_stodft           The module for defining the Hamiltonian in STODFT calculations.

source/Makefile.Objects

@@ -47,7 +47,7 @@ VPATH=./src_global:\
 ./source_hamilt/module_xc:\
 ./source_hamilt/module_xc/kernels:\
 ./source_pw/hamilt_pwdft:\
-./source_pw/hamilt_ofdft:\
+./source_pw/module_ofdft:\
 ./source_pw/hamilt_stodft:\
 ./source_pw/hamilt_pwdft/operator_pw:\
 ./source_pw/hamilt_pwdft/kernels:\

source/source_esolver/esolver_of.cpp

@@ -14,7 +14,7 @@
 //-----force-------------------
 #include "source_pw/hamilt_pwdft/forces.h"
 //-----stress------------------
-#include "source_pw/hamilt_ofdft/of_stress_pw.h"
+#include "source_pw/module_ofdft/of_stress_pw.h"
 
 namespace ModuleESolver
 {

source/source_esolver/esolver_of.h

@@ -5,11 +5,11 @@
 #include "source_base/opt_DCsrch.h"
 #include "source_base/opt_TN.hpp"
 #include "source_estate/module_charge/charge.h"
-#include "source_pw/hamilt_ofdft/kedf_lkt.h"
-#include "source_pw/hamilt_ofdft/kedf_tf.h"
-#include "source_pw/hamilt_ofdft/kedf_vw.h"
-#include "source_pw/hamilt_ofdft/kedf_wt.h"
-#include "source_pw/hamilt_ofdft/kedf_ml.h"
+#include "source_pw/module_ofdft/kedf_lkt.h"
+#include "source_pw/module_ofdft/kedf_tf.h"
+#include "source_pw/module_ofdft/kedf_vw.h"
+#include "source_pw/module_ofdft/kedf_wt.h"
+#include "source_pw/module_ofdft/kedf_ml.h"
 #include "source_psi/psi.h"
 
 namespace ModuleESolver

source/source_pw/CMakeLists.txt

@@ -1,3 +1,3 @@
 add_subdirectory(hamilt_pwdft)
-add_subdirectory(hamilt_ofdft)
+add_subdirectory(module_ofdft)
 add_subdirectory(hamilt_stodft)

source/source_pw/hamilt_ofdft/CMakeLists.txt renamed to source/source_pw/module_ofdft/CMakeLists.txt

@@ -7,13 +7,13 @@ list(APPEND hamilt_ofdft_srcs
 )
 
 add_library(
-    hamilt_ofdft
+    module_ofdft
     OBJECT
     ${hamilt_ofdft_srcs}
 )
 
 if(ENABLE_COVERAGE)
-  add_coverage(hamilt_ofdft)
+  add_coverage(module_ofdft)
 endif()
 
 if(ENABLE_MLALGO)