// had to define a function that returns such requirements,
// and a description string.
SingleRankChecker checker;
- checker.applyConstraint(inputrec->eI == eiLBFGS, "L-BFGS minimization");
- checker.applyConstraint(inputrec->coulombtype == eelEWALD, "Plain Ewald electrostatics");
+ checker.applyConstraint(inputrec->eI == IntegrationAlgorithm::LBFGS, "L-BFGS minimization");
+ checker.applyConstraint(inputrec->coulombtype == CoulombInteractionType::Ewald,
+ "Plain Ewald electrostatics");
checker.applyConstraint(doMembed, "Membrane embedding");
bool useOrientationRestraints = (gmx_mtop_ftype_count(mtop, F_ORIRES) > 0);
checker.applyConstraint(useOrientationRestraints, "Orientation restraints");
nrank = get_tmpi_omp_thread_division(hwinfo, *hw_opt, nthreads_tot_max, ngpu);
- if (inputrec->eI == eiNM || EI_TPI(inputrec->eI))
+ if (inputrec->eI == IntegrationAlgorithm::NM || EI_TPI(inputrec->eI))
{
/* Dims/steps are divided over the nodes iso splitting the atoms.
* With NM we can't have more ranks than #atoms*#dim. With TPI it's