fixed graph creation

[alexxy/gromacs-testing.git] / src / spacetimecorr.cpp

diff --git a/src/spacetimecorr.cpp b/src/spacetimecorr.cpp
index 507001d5773137f6e5c0e52e8ab89f9838975e9f..5a787cf18637fbfa365a2a92f09b5cdd1c9b1d9d 100644 (file)
--- a/src/spacetimecorr.cpp
+++ b/src/spacetimecorr.cpp
@@ -556,7 +556,7 @@ Domains::finishAnalysis(int nframes)
     graph.resize(index.size());
     for (int i = 1; i <= k; i++) {
         for (int j = 0; j < index.size(); j++) {
-            for (int f = 0; f < index.size(); f++) {
+            for (int f = j; f < index.size(); f++) {
                 if (std::abs(crltns[i][j][f]) >= crl_border) {
                     bool local_flag = true;
                     for (int f2 = 0; f2 < graph[j].size(); f2++) {