Changes in src/molecule_dynamics.cpp [d74077:952f38]

File:

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

src/molecule_dynamics.cpp

@@ -12 +12 @@
 #include "config.hpp"
 #include "element.hpp"
-#include "info.hpp"
-#include "verbose.hpp"
-#include "log.hpp"
+#include "Helpers/Info.hpp"
+#include "Helpers/Verbose.hpp"
+#include "Helpers/Log.hpp"
 #include "molecule.hpp"
 #include "parser.hpp"
-#include "Plane.hpp"
+#include "LinearAlgebra/Plane.hpp"
 #include "ThermoStatContainer.hpp"
 
@@ -513 +513 @@
       Sprinter = mol->AddCopyAtom((*iter));
       for (int n=NDIM;n--;) {
-        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));
+        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);
         // add to Trajectories
         //Log() << Verbose(3) << step << ">=" << MDSteps-1 << endl;