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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11124 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-12-17 15:30:08 +00:00
parent 916e1a7e5b
commit 16dde18ab2
5 changed files with 74 additions and 3 deletions
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9
src/read_data.cpp
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@ -151,6 +151,9 @@ void ReadData::command(int narg, char **arg)
if (compressed) pclose(fp);
else fclose(fp);
atom->bond_per_atom += atom->extra_bond_per_atom;
atom->angle_per_atom += atom->extra_angle_per_atom;
atom->dihedral_per_atom += atom->extra_dihedral_per_atom;
atom->improper_per_atom += atom->extra_improper_per_atom;
}
MPI_Bcast(&atom->bond_per_atom,1,MPI_INT,0,world);
@ -499,6 +502,12 @@ void ReadData::header(int flag)
else if (strstr(line,"extra bond per atom"))
sscanf(line,"%d",&atom->extra_bond_per_atom);
else if (strstr(line,"extra angle per atom"))
sscanf(line,"%d",&atom->extra_angle_per_atom);
else if (strstr(line,"extra dihedral per atom"))
sscanf(line,"%d",&atom->extra_dihedral_per_atom);
else if (strstr(line,"extra improper per atom"))
sscanf(line,"%d",&atom->extra_improper_per_atom);
else if (strstr(line,"xlo xhi"))
sscanf(line,"%lg %lg",&domain->boxlo[0],&domain->boxhi[0]);