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Reading net charges from outSileSiesta #307

Merged
merged 7 commits into from
Mar 8, 2021
Merged

Reading net charges from outSileSiesta #307

merged 7 commits into from
Mar 8, 2021

Commits on Feb 26, 2021

  1. enh: read net charges outSileSiesta

    @pfebrer @zerothi
    pfebrer authored and zerothi committed Feb 26, 2021
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  2. enh: outSileSiesta read charge spin and dataframe

    @pfebrer @zerothi
    pfebrer authored and zerothi committed Feb 26, 2021
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  3. maint: refactoring outSileSiesta read_charge

    @pfebrer @zerothi
    pfebrer authored and zerothi committed Feb 26, 2021
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  4. mnt: restructured for step_to

    @zerothi
    zerothi committed Feb 26, 2021
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Commits on Mar 5, 2021

  1. mnt: change read_charge for more versatility and clarity 

    Also added tests.

To accommodate details of the input, we now have an enum
that contains *options*.

Opt.ANY can thus be used as arguments.
This needs to be put in read_scf as well.
    @zerothi
    zerothi committed Mar 5, 2021
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  2. mnt: fixed rangeindex and 4.1 vs master

    @zerothi
    zerothi committed Mar 5, 2021
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Commits on Mar 8, 2021

  1. doc: updated documentation

    @zerothi
    zerothi committed Mar 8, 2021
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