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Releases: ejmeitz/SimpleCrystals.jl

v0.4.4

18 Jun 18:35

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Missing atomic_symbol function

v0.4.3

18 Jun 17:02

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  • Fix AtomsBase.cell
  • Add tests to check AtomsBase type requirements

v0.4.2

17 Jun 20:27
b2c3f4d

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Typo in cell function

v0.4.1

09 Jun 01:59
baa02fb

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Add ability to write ucposcar and ssposcar files from Crystal object via to_ucposcar and to_ssposcar.

v0.4.0

24 Nov 22:29
15dcc16

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Update to AtomsBase 0.5

v0.3.3

05 Sep 00:19
7c41f3e

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Docs actually fixed this time. No API changes...

v0.3.2

02 Sep 18:24
02bb60c

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Remove HTML from readme so Documenter can render properly on the web.

v0.3.1

01 Sep 20:40
8a83a98

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Forgot some places that atomic_mass was used internally. Removed to get rid of the deprecation warnings.

v0.3.0

01 Sep 20:35
8a83a98

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  • 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

25 Oct 01:56
fceed38

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Fully remove use of SVector in pre-defined crystal structures. Also made this breaking change since 0.1.7 should have been.