Changes in ASE documentation of 'Setting up an OPLS force field calculation' (!2336) · Merge requests · ase / ase

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Pooja Bhat requested to merge (removed):oplschanges into master Mar 18, 2021

Energy units to eV in ase/test/testdata/172_defs.par Removal of duplicate file doc/ase/io/172_defs.par File path ase/test/testdata/172_defs.par given in opls.rst Correction of filename in write_lammps.py

Changes in ASE documentation of 'Setting up an OPLS force field calculation'

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