ICODE-ADC/lammps
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added atom styles with bonus data, also a few USER packages

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This commit is contained in:
Steve Plimpton
2019-11-27 16:03:50 -07:00
parent 6c18e366d7
commit 4f6cb13592
24 changed files with 1022 additions and 7384 deletions
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6
src/read_data.cpp
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@ -568,7 +568,7 @@ void ReadData::command(int narg, char **arg)
if (!avec_body)
error->all(FLERR,"Invalid data file section: Bodies");
if (atomflag == 0) error->all(FLERR,"Must read Atoms before Bodies");
bodies(firstpass);
bodies(firstpass,(AtomVec *) avec_body);
} else if (strcmp(keyword,"Masses") == 0) {
if (firstpass) mass();
@ -1686,7 +1686,7 @@ void ReadData::bonus(bigint nbonus, AtomVec *ptr, const char *type)
if not firstpass, just read past data, but no processing of data
------------------------------------------------------------------------- */
void ReadData::bodies(int firstpass)
void ReadData::bodies(int firstpass, AtomVec *ptr)
{
int m,nchunk,nline,nmax,ninteger,ndouble,nword,ncount,onebody,tmp,rv;
char *eof;
@ -1770,7 +1770,7 @@ void ReadData::bodies(int firstpass)
MPI_Bcast(&m,1,MPI_INT,0,world);
MPI_Bcast(buffer,m,MPI_CHAR,0,world);
if (firstpass) atom->data_bodies(nchunk,buffer,avec_body,id_offset);
if (firstpass) atom->data_bodies(nchunk,buffer,ptr,id_offset);
nread += nchunk;
}