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Dev-ops modernisation, roughly simultaneous with 1.4.0 release
Epic
#344
opened Dec 18, 2024 by
ajjackson
6 of 9 tasks
Use logging/warnings instead of print when loading force constants from Phonopy
#325
opened Nov 8, 2024 by
RastislavTuranyi
Refactor internal Spectrum construction syntax
nice to have
Not urgently required, but would be an improvement
#315
opened Sep 19, 2024 by
ajjackson
Code coverage improvements
good first issue
Good for newcomers
nice to have
Not urgently required, but would be an improvement
#313
opened Aug 8, 2024 by
ajjackson
Forthcoming (release 25.1) changes to CASTEP checkpoint format require Euphonic update
#294
opened Mar 26, 2024 by
krefson
Drop legacy cubic error/width parametrisation: Euphonic v2
breaking
API-breaking or results change: generally reserved for major version number changes
Automatically determine Q range when using kinematic constraints with euphonic-powder-map
nice to have
Not urgently required, but would be an improvement
#269
opened Mar 16, 2023 by
ajjackson
Conversion from phonon modes to force constants
enhancement
New feature or request
#266
opened Feb 27, 2023 by
ajjackson
Ugly RuntimeWarning in bose_factor
good first issue
Good for newcomers
#253
opened Nov 2, 2022 by
rebeccafair
Adaptive broadening API tweaks: Euphonic v3
breaking
API-breaking or results change: generally reserved for major version number changes
Adaptive broadening API tweaks: Euphonic v2
breaking
API-breaking or results change: generally reserved for major version number changes
Gamma points and DOS calculations
good first issue
Good for newcomers
#244
opened Oct 10, 2022 by
ajjackson
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