1. add class Filter_Atom

Author: PeizeLin

include/RI/parallel/Parallel_LRI.h

@@ -49,6 +49,8 @@ class Parallel_LRI
 	virtual const std::vector<TAC>& get_list_Ab01(const TA &Aa01, const TAC &Aa2) const =0;
 	virtual const std::vector<TAC>& get_list_Ab2 (const TA &Aa01, const TAC &Aa2, const TAC &Ab01) const =0;
 
+	virtual ~Parallel_LRI()=default;
+
 	struct List_A
 	{
 		std::vector<TA > a01;

include/RI/ri/Filter_Atom.h

@@ -0,0 +1,63 @@
+// ===================
+//  Author: Peize Lin
+//  date: 2024.08.17
+// ===================
+
+#pragma once
+
+#include "Label.h"
+
+namespace RI
+{
+
+template<typename TA, typename TAC>
+class Filter_Atom
+{
+public:
+	virtual bool filter_for1(const Label::ab_ab &label, const TA  &A1) const { return false; }
+		                     //    a01b01_a2b01:                   Aa01
+		                     //    a01b01_a2b2:                    Aa01
+		                     //    a01b2_a2b01:                    Aa01
+	virtual bool filter_for1(const Label::ab_ab &label, const TAC &A1) const { return false; }
+		                     //    a01b01_a01b01:                  Aa2
+		                     //    a01b01_a01b2:                   Ab01
+
+
+
+	virtual bool filter_for2(const Label::ab_ab &label, const TA  &A1, const TAC &A2) const { return false; }
+		                     //    a01b01_a2b01:                   Aa01,          Ab01
+		                     //    a01b01_a2b2:                    Aa01,          Ab2
+		                     //    a01b2_a2b01:                    Aa01,          Ab01
+	virtual bool filter_for2(const Label::ab_ab &label, const TAC &A1, const TA  &A2) const { return false; }
+		                     //    a01b01_a01b2:                   Ab01,          Aa01
+	virtual bool filter_for2(const Label::ab_ab &label, const TAC &A1, const TAC &A2) const { return false; }
+		                     //    a01b01_a01b01:                  Aa2,           Ab01
+
+
+
+	virtual bool filter_for31(const Label::ab_ab &label, const TA  &A1, const TAC &A2, const TAC &A3) const { return false; }
+		                     //    a01b01_a2b01:                    Aa01,          Ab01,          Aa2
+		                     //    a01b01_a2b2:                     Aa01,          Ab2,           Aa2
+		                     //    a01b2_a2b01:                     Aa01,          Ab01,          Ab2
+	virtual bool filter_for31(const Label::ab_ab &label, const TAC &A1, const TA  &A2, const TAC &A3) const { return false; }
+		                     //    a01b01_a01b2:                    Ab01,          Aa01,          Ab2
+	virtual bool filter_for31(const Label::ab_ab &label, const TAC &A1, const TAC &A2, const TA  &A3) const { return false; }
+		                     //    a01b01_a01b01:                   Aa2,           Ab01,          Aa01
+
+
+
+	virtual bool filter_for32(const Label::ab_ab &label, const TA  &A1, const TAC &A2, const TAC &A3) const { return false; }
+		                     //    a01b01_a2b01:                    Aa01,          Ab01,          Ab2
+		                     //    a01b01_a2b2:                     Aa01,          Ab2,           Ab01
+		                     //    a01b2_a2b01:                     Aa01,          Ab01,          Aa2
+	virtual bool filter_for32(const Label::ab_ab &label, const TAC &A1, const TA  &A2, const TAC &A3) const { return false; }
+		                     //    a01b01_a01b2:                    Ab01,          Aa01,          Aa2
+	virtual bool filter_for32(const Label::ab_ab &label, const TAC &A1, const TAC &A2, const TAC &A3) const { return false; }
+		                     //    a01b01_a01b01:                   Aa2,           Ab01,          Ab2
+
+
+
+	virtual ~Filter_Atom()=default;
+};
+
+}