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customNonbonded.cl 168 Bytes
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Peter Eastman's avatar
Began OpenCL implementation of CustomNonbondedForce  
Peter Eastman committed
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#ifdef USE_CUTOFF
if (!isExcluded && r2 < CUTOFF_SQUARED) {
#else
if (!isExcluded) {
#endif
    float tempForce = 0.0f;
    COMPUTE_FORCE
    dEdR += tempForce*invR;
}