const double *ivxi = &state->nosehoover_vxi[i*nh];
const double *iQinv = &(MassQ->Qinv[i*nh]);
- int nd = ir->opts.nrdf[i];
+ int nd = static_cast<int>(ir->opts.nrdf[i]);
real reft = std::max<real>(ir->opts.ref_t[i], 0);
real kT = BOLTZ * reft;
}
else
{
- ndj = 1.0;
+ ndj = 1;
}
energy += ndj*ixi[j]*kT;
}