Changes in src/molecules.hpp [89c8b2:f7f7a4]

File:

• src/molecules.hpp (modified) (2 diffs)

src/molecules.hpp

@@ -182 +182 @@
   double MinimiseConstrainedPotential(ofstream *out, atom **&permutation, int startstep, int endstep, bool IsAngstroem);
   void EvaluateConstrainedForces(ofstream *out, int startstep, int endstep, atom **PermutationMap, ForceMatrix *Force);
-  bool LinearInterpolationBetweenConfiguration(ofstream *out, int startstep, int endstep, const char *prefix, config &configuration); 
+  bool LinearInterpolationBetweenConfiguration(ofstream *out, int startstep, int endstep, const char *prefix, config &configuration, bool MapByIdentity);
         
   bool CheckBounds(const Vector *x) const;
@@ -207 +207 @@
 
   molecule *CopyMolecule();
-  molecule* CopyMoleculeFromSubRegion(Vector offset, double *parallelepiped);
 
   /// Fragment molecule by two different approaches: