[ViewVC] Diff of: group/branches/no-template-branch/OOPSE/libmdtools/BondExtensions.cpp

Comparing trunk/OOPSE/libmdtools/BondExtensions.cpp (file contents):
Revision 378 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
Revision 564 by mmeineke, Tue Jun 24 19:57:54 2003 UTC

-+
+HarmonicBond::HarmonicBond(Atom &a, Atom &b, double theR0, double theK0 ){
-+
-+
+  set_atoms( a, b );
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+  d0 = theR0;
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+  k0 = theK0;
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+  c_potential_E = 0.0;
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+}
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-+
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+double HarmonicBond::bond_force( double r_ab ){
-+
-+
+  double force;
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+  double dr, dr2;
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+  dr = r_ab - d0;
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+  dr2 = dr * dr;
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+  c_potential_E = k0 * dr2;
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+  force = -2.0 * k0 * dr;
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+  return force;
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-+
+}

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