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synchronise with master #59

Merged
merged 22 commits into from
Jul 24, 2023
Merged

synchronise with master #59

merged 22 commits into from
Jul 24, 2023

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kbspooner
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Includes gruneisen loading, bug fixes, documentation updates

Kieran B. Spooner and others added 22 commits January 4, 2023 17:22
zt is not calculated before averaging (pertinent non-ortho unit cells)
more descriptive cli help
cli help available if no arguments given
ability to exclude lines from avg-rates
avg-rates example
avg-rates mfp option
avg-rates long labels option
amset mesh mfp and weighted mfp options
fixed ability to set constant kappa in ztplot and ztdiff cli
fixed DoS truncation bug
update docs formatting and omissions
added examples to the website (not just on github)
other bug fixes
fix average zt calculations and docs improvements
wipe away the corpses
splits by q-point and band, so works with e.g. add_alt_dispersion
new load: phonopy_gruneisen
fix uniform colour bug, update website
wideband now _may_ plot modes where gamma is 0
if using cutom units and calculating the power factor, the conversion
was sometimes applied twice, this fixes that.
@kbspooner kbspooner merged commit 7822943 into joss-paper Jul 24, 2023
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