* Various input scripts for systems with general triclinic boxes
  versus orthogonal boxes

in.bcc.primitive = 1 atom for bcc lattice with primitive unit cell
in.fcc.primitive = 1 atom for fcc lattice with primitive unit cell
in.hex.primitive = 1 atom for 2d hex lattice with primitive unit cell
in.sq2.primitive = 1 atom for 2d sq2 lattice with primitive unit cell

in.bcc.orthog = 2 atoms for bcc lattice with orthogonal unit cell
in.fcc.orthog = 4 atoms for fcc lattice with orthogonal unit cell
in.hex.orthog = 2 atoms for 2d hex ;attice with orthogonal unit cell
in.sq2.orthog = 2 atoms for 2d sq2 lattice with orthogonal unit cell

energy and pressure should be same for primitive and orthogonal unit cells

in.data.general = read a data file in general triclinic format

* Run all the scripts on 1 proc

lmp_mpi < in.bcc.primitive
mv log.lammps log.compare.bcc.primitive.g++.1
mv tmp.data.bcc.primitive data.compare.bcc.primitive.g++.1
mv tmp.dump.bcc.primitive dump.compare.bcc.primitive.g++.1

lmp_mpi < in.fcc.primitive
mv log.lammps log.compare.fcc.primitive.g++.1
mv tmp.data.fcc.primitive data.compare.fcc.primitive.g++.1
mv tmp.dump.fcc.primitive dump.compare.fcc.primitive.g++.1

lmp_mpi < in.hex.primitive
mv log.lammps log.compare.hex.primitive.g++.1
mv tmp.data.hex.primitive data.compare.hex.primitive.g++.1
mv tmp.dump.hex.primitive dump.compare.hex.primitive.g++.1

lmp_mpi < in.sq2.primitive
mv log.lammps log.compare.sq2.primitive.g++.1
mv tmp.data.sq2.primitive data.compare.sq2.primitive.g++.1
mv tmp.dump.sq2.primitive dump.compare.sq2.primitive.g++.1

lmp_mpi < in.bcc.orthog
mv log.lammps log.compare.bcc.orthog.g++.1
mv tmp.data.bcc.orthog data.compare.bcc.orthog.g++.1
mv tmp.dump.bcc.orthog dump.compare.bcc.orthog.g++.1

lmp_mpi < in.fcc.orthog
mv log.lammps log.compare.fcc.orthog.g++.1
mv tmp.data.fcc.orthog data.compare.fcc.orthog.g++.1
mv tmp.dump.fcc.orthog dump.compare.fcc.orthog.g++.1

lmp_mpi < in.hex.orthog
mv log.lammps log.compare.hex.orthog.g++.1
mv tmp.data.hex.orthog data.compare.hex.orthog.g++.1
mv tmp.dump.hex.orthog dump.compare.hex.orthog.g++.1

lmp_mpi < in.sq2.orthog
mv log.lammps log.compare.sq2.orthog.g++.1
mv tmp.data.sq2.orthog data.compare.sq2.orthog.g++.1
mv tmp.dump.sq2.orthog dump.compare.sq2.orthog.g++.1

lmp_mpi < in.data.general
mv log.lammps log.compare.data.general.g++.1
mv tmp.data.general data.compare.general.g++.1
mv tmp.dump.general dump.compare.general.g++.1

* Run all the scripts on 4 procs

mpirun -np 4 lmp_mpi < in.bcc.primitive
mv log.lammps log.compare.bcc.primitive.g++.4
mv tmp.data.bcc.primitive data.compare.bcc.primitive.g++.4
mv tmp.dump.bcc.primitive dump.compare.bcc.primitive.g++.4

mpirun -np 4 lmp_mpi < in.fcc.primitive
mv log.lammps log.compare.fcc.primitive.g++.4
mv tmp.data.fcc.primitive data.compare.fcc.primitive.g++.4
mv tmp.dump.fcc.primitive dump.compare.fcc.primitive.g++.4

mpirun -np 4 lmp_mpi < in.hex.primitive
mv log.lammps log.compare.hex.primitive.g++.4
mv tmp.data.hex.primitive data.compare.hex.primitive.g++.4
mv tmp.dump.hex.primitive dump.compare.hex.primitive.g++.4

mpirun -np 4 lmp_mpi < in.sq2.primitive
mv log.lammps log.compare.sq2.primitive.g++.4
mv tmp.data.sq2.primitive data.compare.sq2.primitive.g++.4
mv tmp.dump.sq2.primitive dump.compare.sq2.primitive.g++.4

mpirun -np 4 lmp_mpi < in.bcc.orthog
mv log.lammps log.compare.bcc.orthog.g++.4
mv tmp.data.bcc.orthog data.compare.bcc.orthog.g++.4
mv tmp.dump.bcc.orthog dump.compare.bcc.orthog.g++.4

mpirun -np 4 lmp_mpi < in.fcc.orthog
mv log.lammps log.compare.fcc.orthog.g++.4
mv tmp.data.fcc.orthog data.compare.fcc.orthog.g++.4
mv tmp.dump.fcc.orthog dump.compare.fcc.orthog.g++.4

mpirun -np 4 lmp_mpi < in.hex.orthog
mv log.lammps log.compare.hex.orthog.g++.4
mv tmp.data.hex.orthog data.compare.hex.orthog.g++.4
mv tmp.dump.hex.orthog dump.compare.hex.orthog.g++.4

mpirun -np 4 lmp_mpi < in.sq2.orthog
mv log.lammps log.compare.sq2.orthog.g++.4
mv tmp.data.sq2.orthog data.compare.sq2.orthog.g++.4
mv tmp.dump.sq2.orthog dump.compare.sq2.orthog.g++.4

mpirun -np 4 lmp_mpi < in.data.general
mv log.lammps log.compare.data.general.g++.4
mv tmp.data.general data.compare.general.g++.4
mv tmp.dump.general dump.compare.general.g++.4
