Open chappertron opened 3 days ago
Based on the lammps/examples/snap/in.grid.tri example, it seems that string variables are expanded into multiple arguments.
variable snap_options string & "${rcutfac} ${rfac0} ${twojmax} ${radelem} & ${wj} rmin0 ${rmin0} quadraticflag ${quadratic} & bzeroflag ${bzero} switchflag ${switch}" # build zero potential to satisfy compute sna/atom pair_style zero ${rcutfac} pair_coeff * * # define atom and grid computes compute b all sna/atom ${snap_options}
Currently, the call to the compute command is treated as having just a single argument, however, sna/atom requires many arguments.
Based on the lammps/examples/snap/in.grid.tri example, it seems that string variables are expanded into multiple arguments.
Currently, the call to the compute command is treated as having just a single argument, however, sna/atom requires many arguments.