#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/md_enums.h"
+#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/real.h"
class gmx_ekindata_t;
gmx::ArrayRef<const real> invMass,
const t_extmass* MassQ,
gmx::ArrayRef<std::vector<int>> trotter_seqlist,
- int trotter_seqno);
+ TrotterSequence trotter_seqno);
-std::array<std::vector<int>, ettTSEQMAX>
+gmx::EnumerationArray<TrotterSequence, std::vector<int>>
init_npt_vars(const t_inputrec* ir, t_state* state, t_extmass* Mass, bool bTrotter);
real NPT_energy(const t_inputrec* ir, const t_state* state, const t_extmass* MassQ);