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SimonEnsemble / PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials
GNU General Public License v3.0
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Adsorbate snapshot fixed #166

Closed ngantzler closed 3 years ago

ngantzler commented 3 years ago

Fixes #161

SimonEnsemble commented 3 years ago

@ngantzler are you sure this runs?

x = Cart(molecule.atoms[i].coords, box)