ComputeCylindricalBC.h

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00001 
00007 #ifndef COMPUTECYLINDRICALBC_H
00008 #define COMPUTECYLINDRICALBC_H
00009 
00010 #include "ComputeHomePatch.h"
00011 #include "ReductionMgr.h"
00012 
00013 class ComputeCylindricalBC : public ComputeHomePatch
00014 {
00015 private:
00016         char axis;                      //  'x', 'y', or 'z'
00017         BigReal r1;                     //  Radius of first cylinder
00018         BigReal r1_2;                   //  Radius of first cylinder squared
00019         BigReal l1;                     //  Length of First cylinder
00020         BigReal l1_2;                   //  Length of first cylinder, squared
00021         BigReal k1;                     //  First force constant
00022         BigReal r2;                     //  Radius of second cylinder (-1 if inactive)
00023         BigReal r2_2;                   //  Raidus of second cylinder squared
00024         BigReal k2;                     //  Second force constant
00025         BigReal l2;                     //  Length of second cylinder
00026         BigReal l2_2;                   //  Length of second cylinder, squared
00027         int exp1;                       //  Exponent for first boundary condition
00028         int exp2;                       //  Exponent for second boundary condition
00029         Bool twoForces;                 //  Are there two potentials or just one
00030         Vector center;                  //  Center of cylinder
00031 
00032 public:
00033         ComputeCylindricalBC(ComputeID c, PatchID pid);         //  Constructor
00034         virtual ~ComputeCylindricalBC();                        //  Destructor
00035 
00036         virtual void doForce(FullAtom* p, Results* r);
00037         SubmitReduction *reduction;
00038 
00039 };
00040 
00041 #endif
00042 

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