Compatibility with AtomsBase v0.4, ExtXYZ v0.2

NQCD / NQCBase.jl

Base definitions of atoms, cell and unit conversions used in NQCModels.jl and NQCDynamics.jl.

MIT License

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Closed Alexsp32 closed 2 weeks ago

Alexsp32 commented 4 weeks ago

AtomsBase v0.4 introduced breaking changes to the interface for periodic boundary conditions.

As a result, this update will drop compatibility for AtomsBase v0.3 and support AtomsBase v0.4 only.