Changeset 0cd3b2 for molecuilder/src/atom.hpp

Timestamp:

Oct 7, 2009, 1:16:13 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

972706

Parents:

567b7f

Message:

in molecule::OutputTrajectoriesXYZ() ActOnAllAtoms used by new function atom::OutputTrajectoryXYZ().

File:

• molecuilder/src/atom.hpp (modified) (1 diff)

molecuilder/src/atom.hpp

@@ -64 +64 @@
   bool OutputXYZLine(ofstream *out) const;
   bool OutputTrajectory(ofstream *out, int *ElementNo, int *AtomNo, int step) const;
+  bool OutputTrajectoryXYZ(ofstream *out, int step) const;
+
   void EqualsFather ( atom *ptr, atom **res );
   void CorrectFather();