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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4
src/atom_vec_sphere.cpp
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@ -94,7 +94,7 @@ void AtomVecSphere::init()
}
/* ----------------------------------------------------------------------
initialize other atom quantities
initialize non-zero atom quantities
------------------------------------------------------------------------- */
void AtomVecSphere::create_atom_post(int ilocal)
@ -117,7 +117,7 @@ void AtomVecSphere::data_atom_post(int ilocal)
4.0*MY_PI/3.0 * radius*radius*radius * atom->rmass[ilocal];
if (atom->rmass[ilocal] <= 0.0)
error->one(FLERR,"Invalid mass in Atoms section of data file");
error->one(FLERR,"Invalid density in Atoms section of data file");
}
/* ----------------------------------------------------------------------