Changeset f00f02 for molecuilder/src/molecule.hpp

Timestamp:

Dec 16, 2009, 12:30:16 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

62e23d

Parents:

2309fa

git-author:

Tillmann Crueger <crueger@…> (12/16/09 09:58:21)

git-committer:

Frederik Heber <heber@…> (12/16/09 12:30:16)

Message:

Added method to flip ActiveFlag for single molecules. Signed-off-by: Tillmann Crueger <crueger@…>

File:

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

molecuilder/src/molecule.hpp

@@ -296 +296 @@
   bool OutputTemperatureFromTrajectories(ofstream * const output, int startstep, int endstep);
 
+  // Manipulation routines
+  void flipActiveFlag();
+
   private:
   int last_atom;      //!< number given to last atom