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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)
The text was updated successfully, but these errors were encountered:
- Includes functions from DiatomicBasics.jl in a submodule "Structure"
- Interaction with NQCDynamics.jl Simulation objects in an extension.
- Moved ase interface to an extension.
- Version bump to 0.3.0 since extensions require Julia ≥1.9
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
)The text was updated successfully, but these errors were encountered: