don't access uninitialized data and avoid shadowing a class member variable
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@ -765,11 +765,11 @@ template<class DeviceType>
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KOKKOS_INLINE_FUNCTION
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double FixLangevinKokkos<DeviceType>::compute_energy_item(int i) const
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{
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double energy;
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double my_energy = 0.0;
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if (mask[i] & groupbit)
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energy = d_flangevin(i,0)*v(i,0) + d_flangevin(i,1)*v(i,1) +
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my_energy = d_flangevin(i,0)*v(i,0) + d_flangevin(i,1)*v(i,1) +
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d_flangevin(i,2)*v(i,2);
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return energy;
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return my_energy;
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}
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/* ----------------------------------------------------------------------
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