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Small bug fix in slater_condon. Restructuring of how to deal with est integrals when there are missing blocks. #130

Merged
merged 7 commits into from
Mar 29, 2024
Merged

Small bug fix in slater_condon. Restructuring of how to deal with est integrals when there are missing blocks. #130

merged 7 commits into from
Mar 29, 2024

Commits on Mar 13, 2024

  1. Added minor and cofactor routines into mqc_algebra, and modified est 

    scf_integral routines so they can deal with missing blocks (e.g. in
cases where you took the alpha part of the integral so beta blocks are
missing). Some routines still require updating but it should not affect
anything that used to work when all four blocks were present.
    @leethomo86
    leethomo86 committed Mar 13, 2024
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  2. Merge branch 'thompsonresearchgroup:master' into master

    @leethomo86
    leethomo86 authored Mar 13, 2024
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  3. Merge pull request #153 from leethomo86/master 

    New minor and cofactor routines, and est scf_integrals routines partially modified to account for missing blocks.
    @leethomo86
    leethomo86 authored Mar 13, 2024
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Commits on Mar 29, 2024

  1. Small bug fix in Slater_Condon

    @leethomo86
    leethomo86 committed Mar 29, 2024
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  2. Merge branch 'master' of https://github.com/thompsonresearchgroup/mqc… 

    …Pack
    @leethomo86
    leethomo86 committed Mar 29, 2024
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  3. Merge branch 'master' of https://github.com/MQCPack/mqcPack

    @leethomo86
    leethomo86 committed Mar 29, 2024
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  4. Merge pull request #154 from leethomo86/master 

    Small bug fix in Slater_Condon
    @leethomo86
    leethomo86 authored Mar 29, 2024
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