From 517bd9b4f0a8f0a7de96e9dde8e69582b88a5461 Mon Sep 17 00:00:00 2001
From: Michael Rieger <mir@mircpu.(none)>
Date: Mon, 26 May 2008 21:53:05 +0200
Subject: [PATCH] added SymmetryOperation.h

---
 Lattice.h             |  1 -
 SymmetryOperations.h  | 18 ++++++++++++++++++
 cluster_expansion.cpp |  5 ++---
 3 files changed, 20 insertions(+), 4 deletions(-)
 create mode 100644 SymmetryOperations.h

diff --git a/Lattice.h b/Lattice.h
index ef39685..8f06d36 100644
--- a/Lattice.h
+++ b/Lattice.h
@@ -41,7 +41,6 @@ public:
 
 	void extendUnitCell(void);
 	void assessInteractions(Interactions&);
-	double getEnergy(void);
 
 private:
 	void extendUnitCell(LatticeLayer, int, int);
diff --git a/SymmetryOperations.h b/SymmetryOperations.h
new file mode 100644
index 0000000..b281a74
--- /dev/null
+++ b/SymmetryOperations.h
@@ -0,0 +1,18 @@
+#ifndef _SYMMETRYOPERATIONS_H
+#define _SYMMETRYOPERATIONS_H
+
+#include <string>
+#include <vector>
+
+#include "Direction.h"
+
+using namespace std;
+
+
+
+struct SymmetryOperations {
+	string name;
+	Directions directions;
+};
+
+#endif
diff --git a/cluster_expansion.cpp b/cluster_expansion.cpp
index 63bef84..d5da333 100644
--- a/cluster_expansion.cpp
+++ b/cluster_expansion.cpp
@@ -49,9 +49,8 @@ int main(int argc, char* argv[])
 		lattice.assessInteractions(interactions);
 		cout << "interactions (after assessment):" << endl << interactions;
 
-		// double test_energy = -1234.567; // testvalue for energy
-
-		// Structure structure_1("structure 1", lattice, interactions, test_energy);
+		// Structure structure();
+		
 
 		// Structures structures.push_back(structure_1);
 		
-- 
2.11.4.GIT