From 083e70179ca145d2650f16939ca4736592127afc Mon Sep 17 00:00:00 2001
From: Luke <L.Trombach@massey.ac.nz>
Date: Tue, 11 Jun 2019 16:38:31 +1200
Subject: [PATCH] added function to get the eigenvector corresponding to the
 lowest eigenvalue

---
 potential.cc | 12 ++++++++++++
 potential.h  |  1 +
 2 files changed, 13 insertions(+)

diff --git a/potential.cc b/potential.cc
index ed8c1c6..24c799d 100644
--- a/potential.cc
+++ b/potential.cc
@@ -157,6 +157,18 @@ vector< vector<double> > pairPotential::calcHessian (structure &S)
     return hessianMatrix;
 }
 
+vector<double> pairPotential::getLowestEvec (vector< pair< double,vector<double> > > V)
+{
+    vector<double> evec;
+    sort(V.begin(),V.end());
+    for (auto& i : V)
+    {
+        cout << i.first << endl;
+    }
+    evec = V[6].second;
+        
+    return evec;
+}
 
 /*----------------------------------Optimization----------------------------------------*/
 
diff --git a/potential.h b/potential.h
index d49f36c..569a86a 100644
--- a/potential.h
+++ b/potential.h
@@ -27,6 +27,7 @@ class pairPotential
         std::vector< std::vector<double> > calcHessian (structure &S);
         
         structure optimize (std::ostream &min, structure &S, parameter<int> &switches, parameter<double> &opt);
+        std::vector<double> getLowestEvec (std::vector< std::pair< double,std::vector<double> > > V);
 };