Changeset afc28a for src/Fragmentation/Summation/SetValues/SamplingGrid.hpp

Timestamp:

Oct 10, 2016, 11:20:06 AM (8 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Fix_ChargeSampling_PBC

Children:

b51223

Parents:

4d08b7

Message:

SamplingGrid now also has flag to state boundary conditions.

• flag is serialized and we introduced a version (now 1) to SamplingGrid.

File:

• src/Fragmentation/Summation/SetValues/SamplingGrid.hpp (modified) (3 diffs)

src/Fragmentation/Summation/SetValues/SamplingGrid.hpp

@@ -420 +420 @@
   double end_window[NDIM];
 
+  //!> open (false) or periodic (true) boundary conditions. This information is only required during sampling
+  bool PeriodicBoundaryConditons;
+
 private:
   friend class MPQCData;
@@ -434 +437 @@
       ar & end_window[i];
     }
+    if (version > 0)
+      ar & PeriodicBoundaryConditons;
   }
 
@@ -454 +459 @@
 BOOST_CLASS_EXPORT_KEY(SamplingGrid)
 
+// version for serialized information associated to SamplingGrid
+BOOST_CLASS_VERSION(SamplingGrid, 1)
+
 // define inline functions
 #include "SamplingGrid_inline.hpp"