Merge branch 'rdmft' into rdmft_PR

Author: JGHan7

docs/advanced/input_files/input-main.md

@@ -4005,6 +4005,7 @@ The output files are `OUT.${suffix}/Excitation_Energy.dat` and `OUT.${suffix}/Ex
 ## Reduced Density Matrix Functional Theory
 
 ab-initio methods and the xc-functional parameters used in RDMFT.
+The physical quantities that RDMFT temporarily expects to output are the kinetic energy, total energy, and 1-RDM of the system in the ground state, etc.
 
 ### ab_initio_type
 

source/module_elecstate/cal_dm.h

@@ -1,8 +1,7 @@
 #ifndef CAL_DM_H
 #define CAL_DM_H
 
-// #include "math_tools.h"
-#include "module_elecstate/math_tools.h"  // modyfied by JG for testing
+#include "math_tools.h"
 #include "module_base/timer.h"
 #include "module_base/matrix.h"
 #include "module_base/complexmatrix.h"

tests/integrate/1001_NO_Si2_dzp_rdmft/INPUT

@@ -25,7 +25,7 @@ mixing_type      broyden
 #gamma_only       1
 ks_solver        genelpa
 
-#Parameters (5.rdmft)
+#Parameters (6.rdmft)
 ab_initio_type      rdmft
 dft_functional      cwp22
 exx_hse_omega       0.33