Comments (3)
We don't include anything like :VOID
in the mass list, because some people call it that, others call it :X
, still others might call it :None
, etc. The user should set whichever one of these they intend to use by adding it to the (exported, global) rc
dictionary before calling Molecule
:
rc[:atomic_masses][:VOID] = 0.
from porousmaterials.jl.
Thanks for your explanation. That is a more general way to add custom atomic masses. Perhaps this should be documented in the molecules chapter of the documentation?
from porousmaterials.jl.
Yes, that is a very good idea.
from porousmaterials.jl.
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from porousmaterials.jl.