Changeset 7fcea6 for molecuilder/src/boundary.hpp

Timestamp:

Jun 12, 2008, 7:34:36 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

41c2f1

Parents:

e292c10

Message:

Smaller fixes

CreateClustersinWater is now PrepareClustersinWater (as actual suspension is done in VMD still)
BoundaryPoints can be returned or not in VolumeOfConvexEnvelope

File:

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

molecuilder/src/boundary.hpp

@@ -122 +122 @@
 
 
-double VolumeOfConvexEnvelope(ofstream *out, config *configuration, molecule *mol);
-void CreateClustersinWater(ofstream *out, config *configuration, molecule *mol, double clustervolume, double celldensity, double GreatestDiameter[NDIM]);
+double VolumeOfConvexEnvelope(ofstream *out, config *configuration, Boundaries *BoundaryPoints, molecule *mol);
+void PrepareClustersinWater(ofstream *out, config *configuration, molecule *mol, int repetition[NDIM], double celldensity);