[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/Molecule.cpp

Comparing trunk/OOPSE/libmdtools/Molecule.cpp (file contents):
Revision 450 by mmeineke, Thu Apr 3 21:12:51 2003 UTC vs.
Revision 468 by gezelter, Mon Apr 7 16:56:38 2003 UTC

+  COM[2] /= mtot;
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+void Molecule::getCOMvel( double mtot, double COMvel[3] ) {
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+  double mass;
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+  int i;
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+  COMvel[0] = 0.0;
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+  COMvel[1] = 0.0;
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+  COMvel[2] = 0.0;
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+  mtot   = 0.0;
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+  for (i=0; i < nAtoms; i++) {
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+    if (myAtoms[i] != NULL) {
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+      mass = myAtoms[i]->getMass();
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+      mtot   += mass;
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+      COMvel[0] += myAtoms[i]->get_vx() * mass;
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+      COMvel[1] += myAtoms[i]->get_vy() * mass;
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+      COMvel[2] += myAtoms[i]->get_vz() * mass;
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+    }
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+  }
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+  COMvel[0] /= mtot;
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+  COMvel[1] /= mtot;
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+  COMvel[2] /= mtot;
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+}

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