Fix initialization of molecule orientation in internal generator code

Orientation of Molecules in ls1 is represented by normalied Quaternions.
The current initalisation values for the Quaternions is not normalized,
at the moment Therefore change it to
1w + 0i + 0j + 0k.

Signed-off-by: Christoph Niethammer <[email protected]>

src/molecules/AutoPasSimpleMolecule.h

@@ -19,7 +19,7 @@ class AutoPasSimpleMolecule final : public MoleculeInterface, public autopas::Pa
 public:
 	explicit AutoPasSimpleMolecule(unsigned long id = 0, Component* component = nullptr, double rx = 0., double ry = 0.,
 								   double rz = 0., double vx = 0., double vy = 0., double vz = 0., double qw = 1.,
-								   double qx = 1., double qy = 0., double qz = 0., double Dx = 0., double Dy = 0.,
+								   double qx = 0., double qy = 0., double qz = 0., double Dx = 0., double Dy = 0.,
 								   double Dz = 0.);
 
 	AutoPasSimpleMolecule(const AutoPasSimpleMolecule& m) = default;

src/molecules/FullMolecule.h

@@ -25,7 +25,7 @@ class FullMolecule : public MoleculeInterface {
 	FullMolecule(unsigned long id = 0, Component *component = nullptr,
 	         double rx = 0., double ry = 0., double rz = 0.,
 	         double vx = 0., double vy = 0., double vz = 0.,
-	         double qw = 1., double qx = 1., double qy = 0., double qz = 0.,
+	         double qw = 1., double qx = 0., double qy = 0., double qz = 0.,
 	         double Dx = 0., double Dy = 0., double Dz = 0.
 	);
 	FullMolecule(const FullMolecule& m);