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/doc/ase/io/opls.py

https://gitlab.com/vote539/ase
Python | 3 lines | 1 code | 1 blank | 1 comment | 0 complexity | bfdba3fb5ddaffc1434f24b071cfc002 MD5 | raw file
1# creates lmp_atoms lmp_opls lmp_in
2
3exec(compile(open('write_lammps.py').read(), 'write_lammps.py', 'exec'))