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bondForce.cu 303 Bytes
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Continuing to implement new CUDA platform: HarmonicBondForce and VerletIntegrator  
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real3 delta = make_real3(pos2.x-pos1.x, pos2.y-pos1.y, pos2.z-pos1.z);
Peter Eastman's avatar
OpenCL and CUDA implementation of periodic boundary conditions for bonded forces  
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#if APPLY_PERIODIC
APPLY_PERIODIC_TO_DELTA(delta)
#endif
Peter Eastman's avatar
Continuing to implement new CUDA platform: HarmonicBondForce and VerletIntegrator  
Peter Eastman committed
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real r = SQRT(delta.x*delta.x + delta.y*delta.y + delta.z*delta.z);
COMPUTE_FORCE
dEdR = (r > 0) ? (dEdR / r) : 0;
delta *= dEdR;
real3 force1 = delta;
real3 force2 = -delta;