1. add RPA::set_symmetry() and G0W0::set_symmetry()

Author: PeizeLin

include/RI/physics/Exx.h

@@ -13,6 +13,7 @@
 #include <mpi.h>
 #include <array>
 #include <map>
+#include <set>
 
 namespace RI
 {

include/RI/physics/GW.h

@@ -13,6 +13,7 @@
 #include <mpi.h>
 #include <array>
 #include <map>
+#include <set>
 
 namespace RI
 {
@@ -34,6 +35,10 @@ class G0W0
 		const std::array<Tatom_pos,Ndim> &latvec,
 		const std::array<Tcell,Ndim> &period);
 
+	void set_symmetry(
+		const bool flag_symmetry,
+		const std::map<std::pair<TA,TA>, std::set<TC>> &irreducible_sector);
+
 	void set_Cs(
 		const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Cs,
 		const Tdata_real &threshold_C);

include/RI/physics/GW.hpp

@@ -6,6 +6,7 @@
 
 #include "GW.h"
 #include "../ri/Label.h"
+#include "./symmetry/Filter_Atom_Symmetry.h"
 
 namespace RI
 {
@@ -30,6 +31,18 @@ void G0W0<TA,Tcell,Ndim,Tdata>::set_parallel(
 		// this->post_2D.set_parallel(this->mpi_comm, this->atoms_pos, this->period);
 }
 
+template<typename TA, typename Tcell, std::size_t Ndim, typename Tdata>
+void G0W0<TA,Tcell,Ndim,Tdata>::set_symmetry(
+	const bool flag_symmetry,
+	const std::map<std::pair<TA,TA>, std::set<TC>> &irreducible_sector)
+{
+	if(flag_symmetry)
+		this->lri.filter_atom = std::make_shared<Filter_Atom_Symmetry<TA,TC,Tdata>>(
+			this->period, irreducible_sector);
+	else
+		this->lri.filter_atom = std::make_shared<Filter_Atom<TA,TAC>>();
+}
+
 template<typename TA, typename Tcell, std::size_t Ndim, typename Tdata>
 void G0W0<TA,Tcell,Ndim,Tdata>::set_Cs(
 	const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Cs,

include/RI/physics/RPA.h

@@ -12,6 +12,7 @@
 #include <mpi.h>
 #include <array>
 #include <map>
+#include <set>
 
 namespace RI
 {
@@ -20,7 +21,8 @@ template<typename TA, typename Tcell, std::size_t Ndim, typename Tdata>
 class RPA
 {
 public:
-	using TAC = std::pair<TA,std::array<Tcell,Ndim>>;
+	using TC = std::array<Tcell,Ndim>;
+	using TAC = std::pair<TA,TC>;
 	using Tdata_real = Global_Func::To_Real_t<Tdata>;
 	using Tatom_pos = std::array<double,Ndim>;		// tmp
 
@@ -30,6 +32,10 @@ class RPA
 		const std::array<Tatom_pos,Ndim> &latvec,
 		const std::array<Tcell,Ndim> &period);
 
+	void set_symmetry(
+		const bool flag_symmetry,
+		const std::map<std::pair<TA,TA>, std::set<TC>> &irreducible_sector);
+
 	void set_Cs(
 		const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Cs,
 		const Tdata_real &threshold_C);

include/RI/physics/RPA.hpp

@@ -8,6 +8,7 @@
 #include "RPA.h"
 #include "../ri/Label.h"
 #include "../global/Map_Operator.h"
+#include "./symmetry/Filter_Atom_Symmetry.h"
 
 #include <cassert>
 
@@ -27,6 +28,18 @@ void RPA<TA,Tcell,Ndim,Tdata>::set_parallel(
 	this->flag_finish.stru = true;
 }
 
+template<typename TA, typename Tcell, std::size_t Ndim, typename Tdata>
+void RPA<TA,Tcell,Ndim,Tdata>::set_symmetry(
+	const bool flag_symmetry,
+	const std::map<std::pair<TA,TA>, std::set<TC>> &irreducible_sector)
+{
+	if(flag_symmetry)
+		this->lri.filter_atom = std::make_shared<Filter_Atom_Symmetry<TA,TC,Tdata>>(
+			this->period, irreducible_sector);
+	else
+		this->lri.filter_atom = std::make_shared<Filter_Atom<TA,TAC>>();
+}
+
 template<typename TA, typename Tcell, std::size_t Ndim, typename Tdata>
 void RPA<TA,Tcell,Ndim,Tdata>::set_Cs(
 	const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Cs,