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fix restart issues in pair style lennard/mdf

This commit is contained in:
Axel Kohlmeyer 2020-08-11 19:57:32 -04:00
parent 51a7038dbf
commit 90acace136
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GPG Key ID: D9B44E93BF0C375A
1 changed files with 8 additions and 2 deletions
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10
src/USER-MISC/pair_lennard_mdf.cpp
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@ -226,8 +226,8 @@ void PairLennardMDF::coeff(int narg, char **arg)
cut_inner_one = force->numeric(FLERR,arg[4]);
cut_one = force->numeric(FLERR,arg[5]);
}
if (cut_inner_global <= 0.0 || cut_inner_global > cut_global)
error->all(FLERR,"Illegal pair_style command");
if (cut_inner_one <= 0.0 || cut_inner_one > cut_one)
error->all(FLERR,"Illegal pair_coeff command");
int count = 0;
for (int i = ilo; i <= ihi; i++) {
@ -328,6 +328,8 @@ void PairLennardMDF::read_restart(FILE *fp)
void PairLennardMDF::write_restart_settings(FILE *fp)
{
fwrite(&mix_flag,sizeof(int),1,fp);
fwrite(&cut_global,sizeof(double),1,fp);
fwrite(&cut_inner_global,sizeof(double),1,fp);
}
/* ----------------------------------------------------------------------
@ -339,8 +341,12 @@ void PairLennardMDF::read_restart_settings(FILE *fp)
int me = comm->me;
if (me == 0) {
utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error);
utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error);
utils::sfread(FLERR,&cut_inner_global,sizeof(double),1,fp,NULL,error);
}
MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
MPI_Bcast(&cut_inner_global,1,MPI_DOUBLE,0,world);
}
/* ----------------------------------------------------------------------