Releases: MineralsCloud/CrystallographyCore.jl
Releases · MineralsCloud/CrystallographyCore.jl
v0.6.3
CrystallographyCore v0.6.3
Merged pull requests:
- Use
SMatrix
instead ofMMatrix
inAbstractLattice
s (#32) (@singularitti)
v0.6.2
CrystallographyCore v0.6.2
Merged pull requests:
- Use
UnitfulLinearAlgebra
in ext/AtomsBaseExt.jl (#30) (@singularitti) - Rewrite broadcasting interface for
AbstractLattice
s (#31) (@singularitti)
v0.3.3
Full Changelog: v0.3.2...v0.3.3
This is a backporting release!
Merged pull requests:
- Redefine
Cell
usingCrystalCoordinates
&@computed
(#16) (@singularitti) - Compute number of atoms in
Cell
constructor (#17) (@singularitti) - Deprecate
AbstractLattice
subtyping fromAbstractMatrix
(#18) (@singularitti) - Implement
inv
&Inverted
in src/transform.jl for coordinate transformation between reduced & Cartesian (#19) (@singularitti) - Use
StaticVectors.Values
to replaceStaticArrays.SVector
inCell
(#20) (@singularitti) - Remove
StaticVectors.Values
withVector
inCell
, makeCell
mutable (#21) (@singularitti) - Fix
similar_type
interface forReducedCoordinates
(#22) (@singularitti) - Extend
Base.convert
,uconvert
,ustrip
forReciprocalLattice
&Lattice
in ext/UnitfulExt.jl (#23) (@singularitti) - Implement
UnitfulLinearAlgebraExt
module for linear solving (#24) (@singularitti) - Implement
AtomsBaseExt
(#25) (@singularitti) - Use
NoUnits
inUnitfulLinearAlgebraExt
, directlycollect
is wrong (#26) (@singularitti) - Fix broadcasting for
Lattice
s (#27) (@singularitti) - Fix broadcasting for
ReciprocalLattice
s (#28) (@singularitti)
v0.6.1
CrystallographyCore v0.6.1
Merged pull requests:
- Fix broadcasting for
Lattice
s (#27) (@singularitti) - Fix broadcasting for
ReciprocalLattice
s (#28) (@singularitti)
v0.6.0
CrystallographyCore v0.6.0
Merged pull requests:
- Implement
AtomsBaseExt
(#25) (@singularitti) - Use
NoUnits
inUnitfulLinearAlgebraExt
, directlycollect
is wrong (#26) (@singularitti)
v0.5.0
CrystallographyCore v0.5.0
Merged pull requests:
- Extend
Base.convert
,uconvert
,ustrip
forReciprocalLattice
&Lattice
in ext/UnitfulExt.jl (#23) (@singularitti) - Implement
UnitfulLinearAlgebraExt
module for linear solving (#24) (@singularitti)
v0.4.2
CrystallographyCore v0.4.2
Merged pull requests:
- Fix
similar_type
interface forReducedCoordinates
(#22) (@singularitti)
v0.4.1
CrystallographyCore v0.4.1
v0.4.0
CrystallographyCore v0.4.0
Merged pull requests:
- Redefine
Cell
usingCrystalCoordinates
&@computed
(#16) (@singularitti) - Compute number of atoms in
Cell
constructor (#17) (@singularitti) - Deprecate
AbstractLattice
subtyping fromAbstractMatrix
(#18) (@singularitti) - Implement
inv
&Inverted
in src/transform.jl for coordinate transformation between reduced & Cartesian (#19) (@singularitti) - Use
StaticVectors.Values
to replaceStaticArrays.SVector
inCell
(#20) (@singularitti) - Remove
StaticVectors.Values
withVector
inCell
, makeCell
mutable (#21) (@singularitti)
v0.3.2
CrystallographyCore v0.3.2
Merged pull requests:
- Remove
EachAtom
fromCell
, that should only be done byeachatom
(#14) (@singularitti)