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handle one more case where allowing shifted potential with cutoff 0.0 would create NaNs

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Axel Kohlmeyer
2017-07-21 10:30:11 -04:00
parent 733ea61bf1
commit 00474ab09d
2 changed files with 1 additions and 4 deletions
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src/USER-MISC/pair_morse_smooth_linear.cpp
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@ -296,7 +296,6 @@ void PairMorseSmoothLinear::read_restart(FILE *fp)
void PairMorseSmoothLinear::write_restart_settings(FILE *fp)
{
fwrite(&cut_global,sizeof(double),1,fp);
// fwrite(&offset_flag,sizeof(int),1,fp);
fwrite(&mix_flag,sizeof(int),1,fp);
}
@ -308,11 +307,9 @@ void PairMorseSmoothLinear::read_restart_settings(FILE *fp)
{
if (comm->me == 0) {
fread(&cut_global,sizeof(double),1,fp);
// fread(&offset_flag,sizeof(int),1,fp);
fread(&mix_flag,sizeof(int),1,fp);
}
MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
// MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
}