You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Added Atom constructors that accept an atomic_mass in place of an atomic symbol. This enables better control of the units and using masses not found in PeriodicTable.jl.
All pre-defined crystal structures (e.g. FCC) have new constructors that match this pattern.
Changed some names in interface to differentiate between BravaisLattice's and Crystal's with the same name (e.g. CubicLattice vs. Cubic). Added a few more tests.
AtomsBase support is complete, tables in docs fixed. API should not need major changes beyond bugs fixes at this point (unless goals change). More comprehensive docs might be written to aid use in Molly.