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Embedding ifc #282

Merged
merged 43 commits into from
Jan 18, 2024
Merged

Embedding ifc #282

merged 43 commits into from
Jan 18, 2024

Commits on May 4, 2021

  1. lumi_works.py update[C

    Julien Bouquiaux authored and Julien Bouquiaux committed May 4, 2021
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  2. fix typos

    @gonzex
    gonzex committed May 4, 2021
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Commits on May 5, 2021

  1. remove PhononWork[C

    @jbouquiaux
    jbouquiaux committed May 5, 2021
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  2. creation lumi.py

    @jbouquiaux
    jbouquiaux committed May 5, 2021
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  3. scf object from relaxs

    @jbouquiaux
    jbouquiaux committed May 5, 2021
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  4. test from_relax

    @jbouquiaux
    jbouquiaux committed May 5, 2021
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  5. test from_relax

    @jbouquiaux
    jbouquiaux committed May 5, 2021
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  6. last change

    @jbouquiaux
    jbouquiaux committed May 5, 2021
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  7. last change before merge

    @jbouquiaux
    jbouquiaux committed May 5, 2021
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  8. update of deltaSCF.py, pd dataframe inclusion

    @jbouquiaux
    jbouquiaux committed May 5, 2021
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Commits on May 7, 2021

  1. add DEN deps

    @jbouquiaux
    jbouquiaux committed May 7, 2021
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  2. Merge branch 'develop' of https://github.com/jbouquiaux/abipy into de… 

    …velop
    @jbouquiaux
    jbouquiaux committed May 7, 2021
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  3. clean up

    @jbouquiaux
    jbouquiaux committed May 7, 2021
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Commits on May 17, 2021

  1. possibility to add metadata to lumi_works, + instanciation of deltaSC… 

    …F object from directly from json file. Should be tested
    @jbouquiaux
    jbouquiaux committed May 17, 2021
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Commits on May 18, 2021

  1. add get_dict()

    @jbouquiaux
    jbouquiaux committed May 18, 2021
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  2. minor change

    @jbouquiaux
    jbouquiaux committed May 18, 2021
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Commits on Jul 2, 2021

  1. Creation of lineshape.py

    @jbouquiaux
    jbouquiaux committed Jul 2, 2021
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Commits on Sep 20, 2021

  1. plot band structures

    @jbouquiaux
    jbouquiaux committed Sep 20, 2021
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  2. not opening gsr files

    @jbouquiaux
    jbouquiaux committed Sep 20, 2021
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Commits on Nov 12, 2021

  1. Creation phonon_folding

    @jbouquiaux
    jbouquiaux committed Nov 12, 2021
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  2. Creation phonon_folding

    @jbouquiaux
    jbouquiaux committed Nov 12, 2021
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Commits on Jan 12, 2022

  1. Modifs lumiwork

    @jbouquiaux
    jbouquiaux committed Jan 12, 2022
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  2. Modifs lumiwork

    @jbouquiaux
    jbouquiaux committed Jan 12, 2022
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Commits on Jan 19, 2022

  1. Modifs lumiwork

    @jbouquiaux
    jbouquiaux committed Jan 19, 2022
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Commits on Mar 12, 2022

  1. Modifs lumiwork

    @jbouquiaux
    jbouquiaux committed Mar 12, 2022
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  2. Merge branch 'abinit:develop' into develop

    @jbouquiaux
    jbouquiaux authored Mar 12, 2022
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Commits on Apr 4, 2022

  1. Modif lumiwork

    @jbouquiaux
    jbouquiaux committed Apr 4, 2022
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Commits on Nov 25, 2022

  1. Merge branch 'abinit:develop' into develop

    @jbouquiaux
    jbouquiaux authored Nov 25, 2022
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Commits on Apr 7, 2023

  1. Merge branch 'abinit:develop' into develop

    @jbouquiaux
    jbouquiaux authored Apr 7, 2023
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Commits on Sep 19, 2023

  1. Cleaning LumiWork

    @jbouquiaux
    jbouquiaux committed Sep 19, 2023
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Commits on Sep 20, 2023

  1. deal with nband=*...

    @jbouquiaux
    jbouquiaux committed Sep 20, 2023
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  2. Merge remote-tracking branch 'upstream/develop' into develop

    @jbouquiaux
    jbouquiaux committed Sep 20, 2023
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  3. .

    @jbouquiaux
    jbouquiaux committed Sep 20, 2023
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  4. no Phonon

    @jbouquiaux
    jbouquiaux committed Sep 20, 2023
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Commits on Sep 21, 2023

  1. Merge branch 'abinit:develop' into develop

    @jbouquiaux
    jbouquiaux authored Sep 21, 2023
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Commits on Sep 27, 2023

  1. Merge remote-tracking branch 'upstream/develop' into develop

    @jbouquiaux
    jbouquiaux committed Sep 27, 2023
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Commits on Oct 10, 2023

  1. Merge branch 'abinit:develop' into develop

    @jbouquiaux
    jbouquiaux authored Oct 10, 2023
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Commits on Dec 6, 2023

  1. Merge branch 'abinit:develop' into develop

    @jbouquiaux
    jbouquiaux authored Dec 6, 2023
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  2. first commit

    @jbouquiaux
    jbouquiaux committed Dec 6, 2023
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  3. lineshape not yet for pull request

    @jbouquiaux
    jbouquiaux committed Dec 6, 2023
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Commits on Jan 10, 2024

  1. Test embedding, minors modifs in deltaSCF

    @jbouquiaux
    jbouquiaux committed Jan 10, 2024
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  2. minor

    @jbouquiaux
    jbouquiaux committed Jan 10, 2024
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  3. Merge branch 'abinit:develop' into embedding_ifc

    @jbouquiaux
    jbouquiaux authored Jan 10, 2024
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