wexlergroup/FreeBird.jl: v0.0.3
wexlergroup/FreeBird.jl: v0.0.3
FreeBird v0.0.3 Diff since v0.0.2 Now using AtomsBase 0.5. Periodic() and DirichletZero() boundary conditions are deprecated. Simple booleans are used now. atomic_symbol() and other similar functions now need the atom index in the particles list to work. atomic_system() is now the easiest way to construct a flexible system. boundary_conditions and bounding_box are no longer fields of a system, they are now periodicity and cell_vectors, respectively. Now using up-to-date ExtXYZ and AtomsIO packages as well, as they are changed to accommodate AtomsBase 0.5. No breaking changes in the exported methods, although some output now looks different. Resolves #89, #84 and #47. Merged pull requests: Feature/read-write-walkers (#88) (@yangmr04) Feature/update-AtomsBase-0.5 (#90) (@yangmr04)
- University of Mary United States
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