Changeset 8d0b25 for molecuilder/src/builder.cpp

Timestamp:

Jan 30, 2010, 5:35:48 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

14c0f0

Parents:

478683

Message:

Added output of surfacemap in ParseCommandLineOptions(), case 'C' again.

File:

• molecuilder/src/builder.cpp (modified) (1 diff)

molecuilder/src/builder.cpp

@@ -1708 +1708 @@
                 int ranges[NDIM] = {1,1,1};
                 CorrelationToSurfaceMap *surfacemap = PeriodicCorrelationToSurface( molecules, elemental, TesselStruct, LCList, ranges );
-                //OutputCorrelationToSurface(&output, surfacemap);
+                OutputCorrelationToSurface(&output, surfacemap);
                 BinPairMap *binmap = BinData( surfacemap, 0.5, 0., 0. );
                 OutputCorrelation ( &binoutput, binmap );