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Releases: hackingmaterials/amset

v0.4.22

02 Sep 15:55
901251c
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Fix deformation potentials with spin-polarised materials.

v0.4.21

23 Jul 17:59
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Fix compatbility with spglib.

v0.4.20

24 Aug 20:25
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Fix intermittent casting bug.

v0.4.19

16 Aug 12:42
2a4b314
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Fix numpy deprecations.

v0.4.18

23 Aug 09:51
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  • Fix issue with interpolation package #657
    by @lizhenzhupearl.
  • eff-mass can now be run on vaspruns without orbital projections.

v0.4.17

13 Jun 09:15
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Remove unused desymmetrisation routines.

v0.4.16

12 Jun 16:44
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AMSET dependencies are now not pinned to specific versions. This should make installing
and upgrading a bit easier. Additionally, the quadpy package has been removed as a
dependency.

v0.4.15

26 Oct 10:48
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Bug fixes:

  • Fixed extraction of polar phonon frequency for VASP 6.

v0.4.14

21 Oct 12:40
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Bug fixes:

  • Fixed extraction of deformation potentials when a deformation calculation has more
    bands than the undeformed calculation.

v0.4.13

21 Oct 09:40
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Bug fixes:

  • Fixed interpolation of scattering rates at low doping concentrations.