diff --git a/src/read_restart.cpp b/src/read_restart.cpp index 9be035e1a1ec1ab18ad869eaf21efe2f8f147038..a57831a5b293c915ed10e0ae66a0984166f25480 100644 --- a/src/read_restart.cpp +++ b/src/read_restart.cpp @@ -64,7 +64,7 @@ enum{VERSION,SMALLINT,TAGINT,BIGINT, ATOM_ID,ATOM_MAP_STYLE,ATOM_MAP_USER,ATOM_SORTFREQ,ATOM_SORTBIN, COMM_MODE,COMM_CUTOFF,COMM_VEL,NO_PAIR, EXTRA_BOND_PER_ATOM,EXTRA_ANGLE_PER_ATOM,EXTRA_DIHEDRAL_PER_ATOM, - EXTRA_IMPROPER_PER_ATOM,EXTRA_SPECIAL_PER_ATOM}; + EXTRA_IMPROPER_PER_ATOM,MAXSPECIAL}; #define LB_FACTOR 1.1 @@ -924,8 +924,8 @@ void ReadRestart::header(int incompatible) atom->extra_dihedral_per_atom = read_int(); } else if (flag == EXTRA_IMPROPER_PER_ATOM) { atom->extra_improper_per_atom = read_int(); - } else if (flag == EXTRA_SPECIAL_PER_ATOM) { - force->special_extra = read_int(); + } else if (flag == MAXSPECIAL) { + atom->maxspecial = read_int(); } else error->all(FLERR,"Invalid flag in header section of restart file"); diff --git a/src/write_restart.cpp b/src/write_restart.cpp index edb6dfa7e8a4171fd5304ab9371e89362fddbbcb..6e01ab2997d13500132bf5267a4ed2ea5340385d 100644 --- a/src/write_restart.cpp +++ b/src/write_restart.cpp @@ -63,7 +63,7 @@ enum{VERSION,SMALLINT,TAGINT,BIGINT, ATOM_ID,ATOM_MAP_STYLE,ATOM_MAP_USER,ATOM_SORTFREQ,ATOM_SORTBIN, COMM_MODE,COMM_CUTOFF,COMM_VEL,NO_PAIR, EXTRA_BOND_PER_ATOM,EXTRA_ANGLE_PER_ATOM,EXTRA_DIHEDRAL_PER_ATOM, - EXTRA_IMPROPER_PER_ATOM,EXTRA_SPECIAL_PER_ATOM}; + EXTRA_IMPROPER_PER_ATOM,MAXSPECIAL}; /* ---------------------------------------------------------------------- */ @@ -533,7 +533,7 @@ void WriteRestart::header() write_int(EXTRA_ANGLE_PER_ATOM,atom->extra_angle_per_atom); write_int(EXTRA_DIHEDRAL_PER_ATOM,atom->extra_dihedral_per_atom); write_int(EXTRA_IMPROPER_PER_ATOM,atom->extra_improper_per_atom); - write_int(EXTRA_SPECIAL_PER_ATOM,force->special_extra); + write_int(MAXSPECIAL,atom->maxspecial); // -1 flag signals end of header