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expand examples to include some LAMMPS commands

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This commit is contained in:
Axel Kohlmeyer
2020-10-18 01:06:34 -04:00
parent e1b00a67f8
commit 42116fc444
4 changed files with 27 additions and 0 deletions
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6
swig/run_python_example.sh
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@ -5,8 +5,14 @@ from pylammps import *
lmp = lammps_open_no_mpi(0,None,None)
ver = lammps_version(lmp)
lammps_command(lmp, "units real")
lammps_command(lmp, "lattice fcc 2.5")
lammps_command(lmp, "region box block -5 5 -5 5 -5 5")
lammps_command(lmp, "create_box 1 box")
lammps_command(lmp, "create_atoms 1 box")
print("LAMMPS version ",ver)
print("Number of created atoms: %g" % lammps_get_natoms(lmp))
lammps_close(lmp)
EOF