/coarse_grainer

The final goal of this package is to coarse-grain the atomistic properties to structure or unstructured lattices. One of the main application is to calculate atomic strain. The atomic displacement is coarse-grained to a lattice and then strain is calculated based on it.

Primary LanguageC++BSD 3-Clause "New" or "Revised" LicenseBSD-3-Clause

coarse_grainer

The final goal of this package is to coarse-grain the atomistic properties to structure or unstructured lattices.
One of the main application is to calculate atomic strain. The atomic displacement is coarse-grained to a lattice and then strain is calculated based on it.