[ViewVC] Diff of: OpenMD/branches/development/src/nonbonded/EAM.cpp

Comparing branches/development/src/nonbonded/EAM.cpp (file contents):
Revision 1504 by gezelter, Sat Oct 2 19:53:32 2010 UTC vs.
Revision 1505 by gezelter, Sun Oct 3 22:18:59 2010 UTC

+    return;
-+
-+
+  RealType EAM::getSuggestedCutoffRadius(AtomType* at1, AtomType* at2) {
-+
+    if (!initialized_) initialize();
-+
-+
+    RealType cut = 0.0;
-+
-+
+    map<AtomType*, EAMAtomData>::iterator it;
-+
-+
+    it = EAMMap.find(at1);
-+
+    if (it != EAMMap.end()) {
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+      EAMAtomData data1 = (*it).second;
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+      cut = data1.rcut;
-+
+    }
-+
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+    it = EAMMap.find(at2);
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+    if (it != EAMMap.end()) {
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+      EAMAtomData data2 = (*it).second;
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+      if (data2.rcut > cut)
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+        cut = data2.rcut;
-+
+    }
-+
-+
+    return cut;
-+
+  }

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