Commit a1a8105b authored by Mikkel Strange's avatar Mikkel Strange

fix inverse units of forces

parent 9191538d
......@@ -87,10 +87,10 @@ def parse(filename):
c(f.get_total_energy(), 'eV'))
p.addArrayValues('atom_forces',
c(f.get_forces(),
'angstrom/eV'))
'eV/angstrom'))
p.addArrayValues('atom_forces_raw',
c(f.get_forces(apply_constraint=False),
'angstrom/eV'))
'eV/angstrom'))
with o(p, 'section_sampling_method'):
p.addValue('ensemble_type', 'NVE')
p.finishedParsingSession("ParseSuccess", None)
......
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