/* It would be nice to get rid of the copies below, but we don't know
* a priori if the number of atoms in confin matches what we expect.
*/
- state->flags |= (1 << estX);
+ state->flags |= enumValueToBitMask(StateEntry::X);
if (v != nullptr)
{
- state->flags |= (1 << estV);
+ state->flags |= enumValueToBitMask(StateEntry::V);
}
state_change_natoms(state, state->natoms);
std::copy(x, x + state->natoms, state->x.data());
opts->seed = static_cast<int>(gmx::makeRandomSeed());
GMX_LOG(logger.info).asParagraph().appendTextFormatted("Setting gen_seed to %d", opts->seed);
}
- state->flags |= (1 << estV);
+ state->flags |= enumValueToBitMask(StateEntry::V);
maxwell_speed(opts->tempi, opts->seed, sys, state->v.rvec_array(), logger);
stop_cm(logger, state->natoms, mass, state->x.rvec_array(), state->v.rvec_array());