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Feat: Add run types for GW calculations #1105

Merged
merged 9 commits into from
Oct 11, 2024
Merged

Feat: Add run types for GW calculations #1105

merged 9 commits into from
Oct 11, 2024
+45 −5

Commits on Sep 19, 2024

  1. added gw types

    @yanghan-microsoft
    yanghan-microsoft committed Sep 19, 2024
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  2. modified Calculation class to deal with empty CONTCAR

    @yanghan-microsoft
    yanghan-microsoft committed Sep 19, 2024
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Commits on Oct 6, 2024

  1. update the method to deal with empty contcar of gw calculation

    @yanghan-microsoft
    yanghan-microsoft committed Oct 6, 2024
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  2. update the run and task types for gw calculations; update the generat… 

    …ed enums accordingly
    @yanghan-microsoft
    yanghan-microsoft committed Oct 6, 2024
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  3. update the utils functions to identify run and task types for gw calc… 

    …ulations
    @yanghan-microsoft
    yanghan-microsoft committed Oct 6, 2024
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Commits on Oct 11, 2024

  1. update default value for ALGO

    @yanghan-microsoft
    yanghan-microsoft committed Oct 11, 2024
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  2. Merge remote-tracking branch 'upstream/main' into hanyang/gw-runtypes

    @esoteric-ephemera
    esoteric-ephemera committed Oct 11, 2024
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  3. update bot actions to auto-push to pr branch

    @esoteric-ephemera
    esoteric-ephemera committed Oct 11, 2024
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  4. temporarily disable enum check to run tests - manually checked enum g… 

    …eneration
    @esoteric-ephemera
    esoteric-ephemera committed Oct 11, 2024
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