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Added PBC FCIDUMP code #1

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Added PBC FCIDUMP code #1

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Commits on Dec 19, 2022

  1. Modified KCCSD RHF to store all eris.

    @ajwt
    ajwt committed Dec 19, 2022
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  2. Added a PBC FCIDUMP routine in pbcfcidump. 

    This dumps complex integrals from the pbc k-point code as well as
exchange truncated integrals.

Contributor List:

Alex Thom
Verena Neufeld
David Kovacs
Jiri Etrych
    @ajwt
    ajwt committed Dec 19, 2022
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  3. Added Tests for PBC FCIDUMP routine. 

        Contributor List:

    Verena Neufeld
    Alex Thom
    David Kovacs
    Jiri Etrych
    @ajwt
    ajwt committed Dec 19, 2022
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  4. Update tests with new helper paths.

    @ajwt
    ajwt committed Dec 19, 2022
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  5. Fixed dodgy paths.

    @ajwt
    ajwt committed Dec 19, 2022
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Commits on Jan 1, 2023

  1. suggested changes 

    - remove need to modify kccsd_rhf.py
    @verena-neufeld
    verena-neufeld committed Jan 1, 2023
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Commits on Jan 17, 2023

  1. Update pbcfcidump.py 

    Removed outdated comments about get_kconserv
    @ajwt
    ajwt authored Jan 17, 2023
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  2. Removed duplicate code.

    @ajwt
    ajwt committed Jan 17, 2023
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  3. Merge branch 'review_jan01' into pbcfcidump

    @ajwt
    ajwt committed Jan 17, 2023
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