ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

add support for restarting extra/XXX/per/atom settings in binary restarts

Browse Source
This commit is contained in:
Axel Kohlmeyer
2018-07-16 15:21:52 -04:00
parent c589029219
commit 783839e985
2 changed files with 23 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

15
src/read_restart.cpp
View File

@ -62,7 +62,9 @@ enum{VERSION,SMALLINT,TAGINT,BIGINT,
MULTIPROC,MPIIO,PROCSPERFILE,PERPROC,
IMAGEINT,BOUNDMIN,TIMESTEP,
ATOM_ID,ATOM_MAP_STYLE,ATOM_MAP_USER,ATOM_SORTFREQ,ATOM_SORTBIN,
COMM_MODE,COMM_CUTOFF,COMM_VEL,NO_PAIR};
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};
#define LB_FACTOR 1.1
@ -914,6 +916,17 @@ void ReadRestart::header(int incompatible)
} else if (flag == COMM_VEL) {
comm->ghost_velocity = read_int();
} else if (flag == EXTRA_BOND_PER_ATOM) {
atom->extra_bond_per_atom = read_int();
} else if (flag == EXTRA_ANGLE_PER_ATOM) {
atom->extra_angle_per_atom = read_int();
} else if (flag == EXTRA_DIHEDRAL_PER_ATOM) {
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 error->all(FLERR,"Invalid flag in header section of restart file");
flag = read_int();