Changes in src/molecule_dynamics.cpp [952f38:bf3817]

File:

• src/molecule_dynamics.cpp (modified) (2 diffs)

src/molecule_dynamics.cpp ¶

@@ -5 +5 @@
  *      Author: heber
  */
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
 
 #include "Helpers/MemDebug.hpp"
@@ -513 +518 @@
       Sprinter = mol->AddCopyAtom((*iter));
       for (int n=NDIM;n--;) {
-        Sprinter->x[n] = (*iter)->Trajectory.R.at(startstep)[n] + (PermutationMap[(*iter)->nr]->Trajectory.R.at(endstep)[n] - (*iter)->Trajectory.R.at(startstep)[n])*((double)step/(double)MaxSteps);
+        Sprinter->set(n, (*iter)->Trajectory.R.at(startstep)[n] + (PermutationMap[(*iter)->nr]->Trajectory.R.at(endstep)[n] - (*iter)->Trajectory.R.at(startstep)[n])*((double)step/(double)MaxSteps));
         // add to Trajectories
         //Log() << Verbose(3) << step << ">=" << MDSteps-1 << endl;