Releases: ejmeitz/SimpleCrystals.jl
Releases · ejmeitz/SimpleCrystals.jl
v0.3.3
Docs actually fixed this time. No API changes...
v0.3.2
Remove HTML from readme so Documenter can render properly on the web.
v0.3.1
Forgot some places that atomic_mass
was used internally. Removed to get rid of the deprecation warnings.
v0.3.0
- Updated to AtomsBase 0.4, interface is same except
atom_mass
was renamed to mass
in the user facing API.
- Removed float promotion in definition of all crystals.
- Made docs a symlink to ReadMe to avoid issues like #2
Edit: Missed some places atomic_mass
was used. This might throw some warnings so use 0.3.1 to fix that.
v0.2.0
Fully remove use of SVector in pre-defined crystal structures. Also made this breaking change since 0.1.7 should have been.
v0.1.7
Replaced SVector in Atom constructor with normal vector to enable modifications to atom positions once system is constructed.
v0.1.6
Fix bounding_box
format to match AtomsBase API.
v0.1.5
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.
v0.1.4
Fixed some issues in the Atom interface with displaying Atom object as ASCII.
v0.1.3
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.