Changeset 375dcf for molecuilder/src/boundary.cpp

Timestamp:

Jun 27, 2008, 9:14:58 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

74baec

Parents:

d7b1bf

git-author:

Frederik Heber <heber@…> (06/27/08 21:12:52)

git-committer:

Frederik Heber <heber@…> (06/27/08 21:14:58)

Message:

introduced shieldings to analyzer and joiner

both now handle pcp.sigma_all...csv files just as pcp.forces.all. Therefore the data format in pcp/perturbed.c was adapted a bit, as we need a header.
periodentafel.hpp got periodentafel and element class from molecules.hpp

File:

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

molecuilder/src/boundary.cpp

@@ -702 +702 @@
     secondline++;
   } while (!(
-      (BPS[0] == secondline->second.first->second) && (BPS[1] != secondline->second.second->second) ||
-      (BPS[0] == secondline->second.second->second) && (BPS[1] != secondline->second.first->second) ||
-      (BPS[1] == secondline->second.first->second) && (BPS[0] != secondline->second.second->second) ||
-      (BPS[1] == secondline->second.second->second) && (BPS[0] != secondline->second.first->second)
+      ((BPS[0] == secondline->second.first->second) && (BPS[1] != secondline->second.second->second)) ||
+      ((BPS[0] == secondline->second.second->second) && (BPS[1] != secondline->second.first->second)) ||
+      ((BPS[1] == secondline->second.first->second) && (BPS[0] != secondline->second.second->second)) ||
+      ((BPS[1] == secondline->second.second->second) && (BPS[0] != secondline->second.first->second))
     ));
   BPS[0] = secondline->second.first->second;