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NQCD / NQCBase.jl

Base definitions of atoms, cell and unit conversions used in NQCModels.jl and NQCDynamics.jl.
MIT License
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Add ASE structure support for PythonCall.jl #10

Closed Alexsp32 closed 2 months ago

Alexsp32 commented 5 months ago

Currently we conditionally load the ASE interface when PyCall is loaded, which makes it difficult to use PythonCall.jl together with NQCDynamics/NQCBase.

Alexsp32 commented 2 months ago

Added in in #11