diff --git a/PG-PuReMD/src/reax_types.h b/PG-PuReMD/src/reax_types.h index d27c553982290ac469d62a1b9faa1c69df9c0aa2..b0d8397a36a8a019f6a010955a4dec4c14fa0b85 100644 --- a/PG-PuReMD/src/reax_types.h +++ b/PG-PuReMD/src/reax_types.h @@ -239,18 +239,18 @@ /******************* ENUMERATIONS *************************/ -enum geo_formats { CUSTOM, PDB, ASCII_RESTART, BINARY_RESTART, GF_N }; +enum geo_formats { CUSTOM = 0, PDB = 1, ASCII_RESTART = 2, BINARY_RESTART = 3, GF_N = 4 }; -enum restart_formats { WRITE_ASCII, WRITE_BINARY, RF_N }; +enum restart_formats { WRITE_ASCII = 0, WRITE_BINARY = 1, RF_N = 2 }; -enum ensembles { NVE, bNVT, nhNVT, sNPT, iNPT, NPT, ens_N }; +enum ensembles { NVE = 0, bNVT = 1, nhNVT = 2, sNPT = 3, iNPT = 4, NPT = 5, ens_N = 6 }; -enum lists { BONDS, OLD_BONDS, THREE_BODIES, - HBONDS, FAR_NBRS, DBOS, DDELTAS, LIST_N +enum lists { BONDS = 0, OLD_BONDS = 1, THREE_BODIES = 2, + HBONDS = 3, FAR_NBRS = 4, DBOS = 5, DDELTAS = 6, LIST_N = 7 }; -enum interactions { TYP_VOID, TYP_BOND, TYP_THREE_BODY, - TYP_HBOND, TYP_FAR_NEIGHBOR, TYP_DBO, TYP_DDELTA, TYP_N +enum interactions { TYP_VOID = 0, TYP_BOND = 1, TYP_THREE_BODY = 2, + TYP_HBOND = 3, TYP_FAR_NEIGHBOR = 4, TYP_DBO = 5, TYP_DDELTA = 6, TYP_N = 7 }; enum message_tags { INIT, UPDATE, BNDRY, UPDATE_BNDRY, @@ -265,7 +265,7 @@ enum errors { FILE_NOT_FOUND = -10, UNKNOWN_ATOM_TYPE = -11, INVALID_INPUT = -16, INVALID_GEO = -17 }; -enum exchanges { NONE, NEAR_EXCH, FULL_EXCH }; +enum exchanges { NONE = 0, NEAR_EXCH = 1, FULL_EXCH = 2 }; enum gcell_types { NO_NBRS = 0, NEAR_ONLY = 1, HBOND_ONLY = 2, FAR_ONLY = 4, NEAR_HBOND = 3, NEAR_FAR = 5, HBOND_FAR = 6, FULL_NBRS = 7, @@ -276,11 +276,11 @@ enum atoms { C_ATOM = 0, H_ATOM = 1, O_ATOM = 2, N_ATOM = 3, S_ATOM = 4, SI_ATOM = 5, GE_ATOM = 6, X_ATOM = 7 }; -enum traj_methods { REG_TRAJ, MPI_TRAJ, TF_N }; +enum traj_methods { REG_TRAJ = 0, MPI_TRAJ = 1, TF_N = 2 }; -enum molecules { UNKNOWN, WATER }; +enum molecules { UNKNOWN = 0, WATER = 1 }; -enum list_on { TYP_HOST, TYP_DEVICE }; +enum list_on { TYP_HOST = 0, TYP_DEVICE = 1 };