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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 convenience functions for diatomic molecules #7

Closed Alexsp32 closed 10 months ago

Alexsp32 commented 11 months ago

Related to NQCD/DiatomicBasics#1.

Add center of distance, mass, center of mass, velocity and variants correcting for periodic boundary conditions into NQCBase somewhere. (Probably best as a sub package to avoid blocking common function names such as distance)

Alexsp32 commented 10 months ago

Included here instead: https://github.com/NQCD/NQCDynamics.jl/issues/317