[ViewVC] Diff of: group/branches/new_design/OOPSE-2.0/src/UseTheForce/ForceFields.hpp

Comparing trunk/OOPSE-2.0/src/UseTheForce/ForceFields.hpp (file contents):
Revision 1497 by tim, Tue Sep 28 20:44:02 2004 UTC vs.
Revision 1520 by gezelter, Mon Oct 4 15:27:35 2004 UTC

+};
-+
+class Shapes_FF : public ForceFields{
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+public:
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+  Shapes_FF();
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+  Shapes_FF(char* the_variant);
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+  virtual ~Shapes_FF();
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-+
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+  void readParams();
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+  void cleanMe( void );
-+
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+  void initializeAtoms( int nAtoms, Atom** atomArray );
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+  void initializeBonds( int nBonds, Bond** bondArray,
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+                        bond_pair* the_bonds );
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+  void initializeBends( int nBends, Bend** bendArray,
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+                        bend_set* the_bends );
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+  void initializeTorsions( int nTorsions, Torsion** torsionArray,
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+                           torsion_set* the_torsions );
-+
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+  void initForceField( int ljMixRule );
-+
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+  void calcRcut( void );
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+  double getAtomTypeMass(char* atomType);
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+private:
-+
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+  void fastForward( char* stopText, char* searchOwner );
-+
-+
+  double shapesRcut;
-+
+};
-+
-+
+#endif

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