velocity(s::Atoms) throws an error if velocities are not defined #25
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and velocity(a:AtomView) now return missing instead of throwing an error if no velocities a specified for a system
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Looks good, thank you. I will merge providing CI passes. |
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v0.1.8 now tagged in General registry |
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Hello,
I changed
velocity(s::Atoms),velocity(s::Atoms, i)to return missing, if the velocities are not defined.Additionally
s.atom_data.velocity[i]should bes.atom_data.velocities[i]Currently, there is no porper way for AtomsBase users to ckeck if a system has velocities, excpet if the velocities are either 0 or missing and AtomsBases
FastSystemuses missing for that. The documentation https://juliamolsim.github.io/AtomsBase.jl/stable/apireference/#AtomsBase.velocity even explictitly allows missing as a return value.