1. update LRI::set_tensors_map2()

PeizeLin · PeizeLin · commit c476389d8409 · 2023-08-28T16:30:26.000+08:00
diff --git a/include/RI/global/Map_Operator.h b/include/RI/global/Map_Operator.h
@@ -41,6 +41,16 @@ namespace Map_Operator
 		m.insert(ptr2, m2.end());
 		return m;
 	}
+
+	// m2 cover m1
+	template<typename Tkey, typename Tvalue>
+	std::map<Tkey,Tvalue> cover(const std::map<Tkey,Tvalue> &m1, const std::map<Tkey,Tvalue> &m2)
+	{
+		std::map<Tkey,Tvalue> m = m1;
+		for(const auto &item : m2)
+			m[item.first] = item.second;
+		return m;
+	}
 }
 
 }
diff --git a/include/RI/physics/Exx.hpp b/include/RI/physics/Exx.hpp
@@ -38,8 +38,8 @@ void Exx<TA,Tcell,Ndim,Tdata>::set_Cs(
 	const Tdata_real &threshold_C,
 	const std::string &save_name_suffix)
 {
-	this->lri.set_tensors_map2( Cs, Label::ab::a, threshold_C, "Cs_a_"+save_name_suffix );
-	this->lri.set_tensors_map2( Cs, Label::ab::b, threshold_C, "Cs_b_"+save_name_suffix );
+	this->lri.set_tensors_map2( Cs, Label::ab::a, {{"threshold_filter", threshold_C}}, "Cs_a_"+save_name_suffix );
+	this->lri.set_tensors_map2( Cs, Label::ab::b, {{"threshold_filter", threshold_C}}, "Cs_b_"+save_name_suffix );
 	this->flag_finish.C = true;
 }
 
@@ -49,7 +49,7 @@ void Exx<TA,Tcell,Ndim,Tdata>::set_Vs(
 	const Tdata_real &threshold_V,
 	const std::string &save_name_suffix)
 {
-	this->lri.set_tensors_map2( Vs, Label::ab::a0b0, threshold_V, "Vs_"+save_name_suffix );
+	this->lri.set_tensors_map2( Vs, Label::ab::a0b0, {{"threshold_filter", threshold_V}}, "Vs_"+save_name_suffix );
 	this->flag_finish.V = true;
 }
 
@@ -59,10 +59,10 @@ void Exx<TA,Tcell,Ndim,Tdata>::set_Ds(
 	const Tdata_real &threshold_D,
 	const std::string &save_name_suffix)
 {
-	this->lri.set_tensors_map2( Ds, Label::ab::a1b1, threshold_D, "Ds_a1b1_"+save_name_suffix );
-	this->lri.set_tensors_map2( Ds, Label::ab::a1b2, threshold_D, "Ds_a1b2_"+save_name_suffix );
-	this->lri.set_tensors_map2( Ds, Label::ab::a2b1, threshold_D, "Ds_a2b1_"+save_name_suffix );
-	this->lri.set_tensors_map2( Ds, Label::ab::a2b2, threshold_D, "Ds_a2b2_"+save_name_suffix );
+	this->lri.set_tensors_map2( Ds, Label::ab::a1b1, {{"threshold_filter", threshold_D}}, "Ds_a1b1_"+save_name_suffix );
+	this->lri.set_tensors_map2( Ds, Label::ab::a1b2, {{"threshold_filter", threshold_D}}, "Ds_a1b2_"+save_name_suffix );
+	this->lri.set_tensors_map2( Ds, Label::ab::a2b1, {{"threshold_filter", threshold_D}}, "Ds_a2b1_"+save_name_suffix );
+	this->lri.set_tensors_map2( Ds, Label::ab::a2b2, {{"threshold_filter", threshold_D}}, "Ds_a2b2_"+save_name_suffix );
 	this->flag_finish.D = true;
 
 	//if()
@@ -77,8 +77,8 @@ void Exx<TA,Tcell,Ndim,Tdata>::set_dCs(
 {
 	for(std::size_t ipos=0; ipos<Npos; ++ipos)
 	{
-		this->lri.set_tensors_map2( dCs[ipos], Label::ab::a, threshold_dC, "dCs_a_"+std::to_string(ipos)+"_"+save_name_suffix );
-		this->lri.set_tensors_map2( dCs[ipos], Label::ab::b, threshold_dC, "dCs_b_"+std::to_string(ipos)+"_"+save_name_suffix );
+		this->lri.set_tensors_map2( dCs[ipos], Label::ab::a, {{"threshold_filter", threshold_dC}}, "dCs_a_"+std::to_string(ipos)+"_"+save_name_suffix );
+		this->lri.set_tensors_map2( dCs[ipos], Label::ab::b, {{"threshold_filter", threshold_dC}}, "dCs_b_"+std::to_string(ipos)+"_"+save_name_suffix );
 	}
 	this->flag_finish.dC = true;
 }
@@ -91,7 +91,7 @@ void Exx<TA,Tcell,Ndim,Tdata>::set_dVs(
 {
 	for(std::size_t ipos=0; ipos<Npos; ++ipos)
 	{
-		this->lri.set_tensors_map2( dVs[ipos], Label::ab::a0b0, threshold_dV, "dVs_"+std::to_string(ipos)+"_"+save_name_suffix );
+		this->lri.set_tensors_map2( dVs[ipos], Label::ab::a0b0, {{"threshold_filter", threshold_dV}}, "dVs_"+std::to_string(ipos)+"_"+save_name_suffix );
 	}
 	this->flag_finish.dV = true;
 }
diff --git a/include/RI/physics/GW.hpp b/include/RI/physics/GW.hpp
@@ -33,8 +33,8 @@ void G0W0<TA,Tcell,Ndim,Tdata>::set_Cs(
 	const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Cs,
 	const Tdata_real &threshold_C)
 {
-	this->lri.set_tensors_map2( Cs, Label::ab::a, threshold_C, "Cs_a" );
-	this->lri.set_tensors_map2( Cs, Label::ab::b, threshold_C, "Cs_b" );
+	this->lri.set_tensors_map2( Cs, Label::ab::a, {{"threshold_filter", threshold_C}} );
+	this->lri.set_tensors_map2( Cs, Label::ab::b, {{"threshold_filter", threshold_C}} );
 	this->flag_finish.C = true;
 }
 
@@ -49,13 +49,13 @@ void G0W0<TA, Tcell, Ndim, Tdata>::cal_Sigc(
 	assert(this->flag_finish.stru);
 	assert(this->flag_finish.C);
 	// setup Green's function
-	this->lri.set_tensors_map2( gf_tau, Label::ab::a1b1, threshold_G, "gf_a1b1" );
-	this->lri.set_tensors_map2( gf_tau, Label::ab::a1b2, threshold_G, "gf_a1b2" );
-	this->lri.set_tensors_map2( gf_tau, Label::ab::a2b1, threshold_G, "gf_a2b1" );
-	this->lri.set_tensors_map2( gf_tau, Label::ab::a2b2, threshold_G, "gf_a2b2" );
+	this->lri.set_tensors_map2( gf_tau, Label::ab::a1b1, {{"threshold_filter", threshold_G}} );
+	this->lri.set_tensors_map2( gf_tau, Label::ab::a1b2, {{"threshold_filter", threshold_G}} );
+	this->lri.set_tensors_map2( gf_tau, Label::ab::a2b1, {{"threshold_filter", threshold_G}} );
+	this->lri.set_tensors_map2( gf_tau, Label::ab::a2b2, {{"threshold_filter", threshold_G}} );
 
 	// setup screened Coulomb interaction
-	this->lri.set_tensors_map2( Wc_tau, Label::ab::a0b0, threshold_W, "Wc" );
+	this->lri.set_tensors_map2( Wc_tau, Label::ab::a0b0, {{"threshold_filter", threshold_W}} );
 
 	std::vector<std::map<TA, std::map<TAC, Tensor<Tdata>>>> Sigc_vec(1);
 	this->lri.coefficients = {nullptr};
diff --git a/include/RI/physics/RPA.hpp b/include/RI/physics/RPA.hpp
@@ -30,8 +30,8 @@ void RPA<TA,Tcell,Ndim,Tdata>::set_Cs(
 	const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Cs,
 	const Tdata_real &threshold_C)
 {
-	this->lri.set_tensors_map2( Cs, Label::ab::a, threshold_C, "Cs_a" );
-	this->lri.set_tensors_map2( Cs, Label::ab::b, threshold_C, "Cs_b" );
+	this->lri.set_tensors_map2( Cs, Label::ab::a, {{"threshold_filter", threshold_C}} );
+	this->lri.set_tensors_map2( Cs, Label::ab::b, {{"threshold_filter", threshold_C}} );
 	this->flag_finish.C = true;
 }
 
@@ -49,14 +49,14 @@ void RPA<TA,Tcell,Ndim,Tdata>::cal_chi0s(
 
 	auto set_Gs_a1 = [this, &threshold_G](const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Gs)
 	{
-		this->lri.set_tensors_map2( Gs, Label::ab::a1b1, threshold_G, "Gs_a1b1" );
-		this->lri.set_tensors_map2( Gs, Label::ab::a1b2, threshold_G, "Gs_a1b2" );
+		this->lri.set_tensors_map2( Gs, Label::ab::a1b1, {{"threshold_filter", threshold_G}} );
+		this->lri.set_tensors_map2( Gs, Label::ab::a1b2, {{"threshold_filter", threshold_G}} );
 	};
 
 	auto set_Gs_a2 = [this, &threshold_G](const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Gs)
 	{
-		this->lri.set_tensors_map2( Gs, Label::ab::a2b1, threshold_G, "Gs_a2b1" );
-		this->lri.set_tensors_map2( Gs, Label::ab::a2b2, threshold_G, "Gs_a2b2" );
+		this->lri.set_tensors_map2( Gs, Label::ab::a2b1, {{"threshold_filter", threshold_G}} );
+		this->lri.set_tensors_map2( Gs, Label::ab::a2b2, {{"threshold_filter", threshold_G}} );
 	};
 
 	std::vector<std::map<TA,std::map<TAC,Tensor<Tdata>>>> chi0s_vec(1);
diff --git a/include/RI/ri/LRI-set.hpp b/include/RI/ri/LRI-set.hpp
@@ -7,7 +7,9 @@
 
 #include "LRI.h"
 #include "RI_Tools.h"
+#include "Label_Tools.h"
 #include "CS_Matrix.h"
+#include "../global/Map_Operator.h"
 #include <algorithm>
 
 namespace RI
@@ -29,20 +31,34 @@ template<typename TA, typename Tcell, std::size_t Ndim, typename Tdata>
 void LRI<TA,Tcell,Ndim,Tdata>::set_tensors_map2(
 	const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Ds_local,
 	const Label::ab &label,
-	const Tdata_real &threshold,
-	const std::string &save_name)
+	const std::map<std::string, double> &para_in,
+	const std::string &save_name_in)
 {
-	//if()
-		std::map<TA, std::map<TAC, Tensor<Tdata>>> Ds_period = RI_Tools::cal_period(Ds_local, this->period);
-
-	std::map<TA, std::map<TAC, Tensor<Tdata>>> Ds_comm = this->parallel->comm_tensors_map2(label, std::move(Ds_period));
+	const std::map<std::string, double> para_default = {
+		{"flag_period",      true}, 
+		{"flag_comm",        true},
+		{"flag_filter",      true},
+		{"threshold_filter", 0.0}};
+	const std::map<std::string, double> para = Map_Operator::cover(para_default, para_in);
 
+	const std::string save_name = 
+		save_name_in=="default"
+		? Label_Tools::get_name(label)
+		: save_name_in;
 	this->data_ab_name[label] = save_name;
 
-	if(threshold)
-		this->data_pool[save_name].Ds_ab = RI_Tools::filter(std::move(Ds_comm), filter_funcs[label], threshold);
-	else
-		this->data_pool[save_name].Ds_ab = std::move(Ds_comm);
+	std::map<TA, std::map<TAC, Tensor<Tdata>>> Ds_new =
+		para.at("flag_period")
+		? RI_Tools::cal_period(Ds_local, this->period)
+		: Ds_local;
+
+	if(para.at("flag_comm"))
+		Ds_new = this->parallel->comm_tensors_map2(label, std::move(Ds_new));
+
+	if(para.at("flag_filter"))
+		Ds_new = RI_Tools::filter(std::move(Ds_new), filter_funcs[label], para.at("threshold_filter"));
+
+	this->data_pool[save_name].Ds_ab = std::move(Ds_new);
 
 	this->data_pool[save_name].index_Ds_ab = RI_Tools::get_index(this->data_pool[save_name].Ds_ab);
 
diff --git a/include/RI/ri/LRI.h b/include/RI/ri/LRI.h
@@ -47,8 +47,14 @@ class LRI
 	void set_tensors_map2(
 		const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Ds_local,
 		const Label::ab &label,
-		const Tdata_real &threshold,
-		const std::string &save_name);
+		const std::map<std::string, double> &para_in = {},
+		const std::string &save_name_in = "default");
+			// para:
+			//     "flag_period",      true
+			//     "flag_comm",        true
+			//     "flag_filter",      true
+			//     "threshold_filter", 0.0
+			// save_name:              Label_Tools::get_name(label)
 	//void set_tensors_map3(
 	//	const std::map<TA, std::map<TAC, Tensor<Tdata>>> &Ds_local,
 	//	const std::string &label,
diff --git a/unittests/ri/LRI-speed-test.hpp b/unittests/ri/LRI-speed-test.hpp
@@ -84,7 +84,7 @@ namespace LRI_Speed_Test
 		lri.csm.set_threshold(0);
 
 		for(const RI::Label::ab &label : RI::Label::array_ab)
-			lri.set_tensors_map2(Ds_ab[label], label, 0, RI::Label_Tools::get_name(label));
+			lri.set_tensors_map2(Ds_ab[label], label);
 
 		timeval t_begin;
 		gettimeofday(&t_begin, NULL);
diff --git a/unittests/ri/LRI-test.hpp b/unittests/ri/LRI-test.hpp
@@ -95,7 +95,7 @@ namespace LRI_Test
 		lri.csm.set_threshold(1E-10);
 
 		for(const RI::Label::ab &label : RI::Label::array_ab)
-			lri.set_tensors_map2(Ds_ab[label], label, 0, RI::Label_Tools::get_name(label));
+			lri.set_tensors_map2(Ds_ab[label], label);
 		{
 			std::vector<T_Ds> Ds_result;
 			lri.cal({RI::Label::ab_ab::a0b0_a1b1}, Ds_result);
diff --git a/unittests/ri/LRI_Loop3-test.hpp b/unittests/ri/LRI_Loop3-test.hpp
@@ -95,7 +95,7 @@ namespace LRI_Loop3_Test
 		lri.csm.set_threshold(1E-10);
 
 		for(const RI::Label::ab &label : RI::Label::array_ab)
-			lri.set_tensors_map2(Ds_ab[label], label, 0, RI::Label_Tools::get_name(label));
+			lri.set_tensors_map2(Ds_ab[label], label);
 		{
 			std::vector<T_Ds> Ds_result;
 			lri.cal_loop3({RI::Label::ab_ab::a0b0_a1b1}, Ds_result);

Original file line number	Diff line number	Diff line change
`@@ -41,6 +41,16 @@ namespace Map_Operator`
`41`	`41`	`m.insert(ptr2, m2.end());`
`42`	`42`	`return m;`
`43`	`43`	`}`
	`44`	`+`
	`45`	`+ // m2 cover m1`
	`46`	`+ template<typename Tkey, typename Tvalue>`
	`47`	`+ std::map<Tkey,Tvalue> cover(const std::map<Tkey,Tvalue> &m1, const std::map<Tkey,Tvalue> &m2)`
	`48`	`+ {`
	`49`	`+ std::map<Tkey,Tvalue> m = m1;`
	`50`	`+ for(const auto &item : m2)`
	`51`	`+ m[item.first] = item.second;`
	`52`	`+ return m;`
	`53`	`+ }`
`44`	`54`	`}`
`45`	`55`
`46`	`56`	`}`
Original file line number	Diff line number	Diff line change
`@@ -38,8 +38,8 @@ void Exx<TA,Tcell,Ndim,Tdata>::set_Cs(`
`38`	`38`	`const Tdata_real &threshold_C,`
`39`	`39`	`const std::string &save_name_suffix)`
`40`	`40`	`{`
`41`		`- this->lri.set_tensors_map2( Cs, Label::ab::a, threshold_C, "Cs_a_"+save_name_suffix );`
`42`		`- this->lri.set_tensors_map2( Cs, Label::ab::b, threshold_C, "Cs_b_"+save_name_suffix );`
	`41`	`+ this->lri.set_tensors_map2( Cs, Label::ab::a, {{"threshold_filter", threshold_C}}, "Cs_a_"+save_name_suffix );`
	`42`	`+ this->lri.set_tensors_map2( Cs, Label::ab::b, {{"threshold_filter", threshold_C}}, "Cs_b_"+save_name_suffix );`
`43`	`43`	`this->flag_finish.C = true;`
`44`	`44`	`}`
`45`	`45`
`@@ -49,7 +49,7 @@ void Exx<TA,Tcell,Ndim,Tdata>::set_Vs(`
`49`	`49`	`const Tdata_real &threshold_V,`
`50`	`50`	`const std::string &save_name_suffix)`
`51`	`51`	`{`
`52`		`- this->lri.set_tensors_map2( Vs, Label::ab::a0b0, threshold_V, "Vs_"+save_name_suffix );`
	`52`	`+ this->lri.set_tensors_map2( Vs, Label::ab::a0b0, {{"threshold_filter", threshold_V}}, "Vs_"+save_name_suffix );`
`53`	`53`	`this->flag_finish.V = true;`
`54`	`54`	`}`
`55`	`55`
`@@ -59,10 +59,10 @@ void Exx<TA,Tcell,Ndim,Tdata>::set_Ds(`
`59`	`59`	`const Tdata_real &threshold_D,`
`60`	`60`	`const std::string &save_name_suffix)`
`61`	`61`	`{`
`62`		`- this->lri.set_tensors_map2( Ds, Label::ab::a1b1, threshold_D, "Ds_a1b1_"+save_name_suffix );`
`63`		`- this->lri.set_tensors_map2( Ds, Label::ab::a1b2, threshold_D, "Ds_a1b2_"+save_name_suffix );`
`64`		`- this->lri.set_tensors_map2( Ds, Label::ab::a2b1, threshold_D, "Ds_a2b1_"+save_name_suffix );`
`65`		`- this->lri.set_tensors_map2( Ds, Label::ab::a2b2, threshold_D, "Ds_a2b2_"+save_name_suffix );`
	`62`	`+ this->lri.set_tensors_map2( Ds, Label::ab::a1b1, {{"threshold_filter", threshold_D}}, "Ds_a1b1_"+save_name_suffix );`
	`63`	`+ this->lri.set_tensors_map2( Ds, Label::ab::a1b2, {{"threshold_filter", threshold_D}}, "Ds_a1b2_"+save_name_suffix );`
	`64`	`+ this->lri.set_tensors_map2( Ds, Label::ab::a2b1, {{"threshold_filter", threshold_D}}, "Ds_a2b1_"+save_name_suffix );`
	`65`	`+ this->lri.set_tensors_map2( Ds, Label::ab::a2b2, {{"threshold_filter", threshold_D}}, "Ds_a2b2_"+save_name_suffix );`
`66`	`66`	`this->flag_finish.D = true;`
`67`	`67`
`68`	`68`	`//if()`
`@@ -77,8 +77,8 @@ void Exx<TA,Tcell,Ndim,Tdata>::set_dCs(`
`77`	`77`	`{`
`78`	`78`	`for(std::size_t ipos=0; ipos<Npos; ++ipos)`
`79`	`79`	`{`
`80`		`- this->lri.set_tensors_map2( dCs[ipos], Label::ab::a, threshold_dC, "dCs_a_"+std::to_string(ipos)+"_"+save_name_suffix );`
`81`		`- this->lri.set_tensors_map2( dCs[ipos], Label::ab::b, threshold_dC, "dCs_b_"+std::to_string(ipos)+"_"+save_name_suffix );`
	`80`	`+ this->lri.set_tensors_map2( dCs[ipos], Label::ab::a, {{"threshold_filter", threshold_dC}}, "dCs_a_"+std::to_string(ipos)+"_"+save_name_suffix );`
	`81`	`+ this->lri.set_tensors_map2( dCs[ipos], Label::ab::b, {{"threshold_filter", threshold_dC}}, "dCs_b_"+std::to_string(ipos)+"_"+save_name_suffix );`
`82`	`82`	`}`
`83`	`83`	`this->flag_finish.dC = true;`
`84`	`84`	`}`
`@@ -91,7 +91,7 @@ void Exx<TA,Tcell,Ndim,Tdata>::set_dVs(`
`91`	`91`	`{`
`92`	`92`	`for(std::size_t ipos=0; ipos<Npos; ++ipos)`
`93`	`93`	`{`
`94`		`- this->lri.set_tensors_map2( dVs[ipos], Label::ab::a0b0, threshold_dV, "dVs_"+std::to_string(ipos)+"_"+save_name_suffix );`
	`94`	`+ this->lri.set_tensors_map2( dVs[ipos], Label::ab::a0b0, {{"threshold_filter", threshold_dV}}, "dVs_"+std::to_string(ipos)+"_"+save_name_suffix );`
`95`	`95`	`}`
`96`	`96`	`this->flag_finish.dV = true;`
`97`	`97`	`}`
Original file line number	Diff line number	Diff line change
`@@ -95,7 +95,7 @@ namespace LRI_Test`
`95`	`95`	`lri.csm.set_threshold(1E-10);`
`96`	`96`
`97`	`97`	`for(const RI::Label::ab &label : RI::Label::array_ab)`
`98`		`- lri.set_tensors_map2(Ds_ab[label], label, 0, RI::Label_Tools::get_name(label));`
	`98`	`+ lri.set_tensors_map2(Ds_ab[label], label);`
`99`	`99`	`{`
`100`	`100`	`std::vector<T_Ds> Ds_result;`
`101`	`101`	`lri.cal({RI::Label::ab_ab::a0b0_a1b1}, Ds_result);`
Original file line number	Diff line number	Diff line change
`@@ -95,7 +95,7 @@ namespace LRI_Loop3_Test`
`95`	`95`	`lri.csm.set_threshold(1E-10);`
`96`	`96`
`97`	`97`	`for(const RI::Label::ab &label : RI::Label::array_ab)`
`98`		`- lri.set_tensors_map2(Ds_ab[label], label, 0, RI::Label_Tools::get_name(label));`
	`98`	`+ lri.set_tensors_map2(Ds_ab[label], label);`
`99`	`99`	`{`
`100`	`100`	`std::vector<T_Ds> Ds_result;`
`101`	`101`	`lri.cal_loop3({RI::Label::ab_ab::a0b0_a1b1}, Ds_result);`