Ring polymer cellboundary

NQCD / NQCBase.jl

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

MIT License

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Open Alexsp32 opened 6 months ago

Alexsp32 commented 6 months ago

Fixes #8 by adding additional methods to apply cell boundaries to 3D arrays generated in Ring-polymer simulations.