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[WIP] Get DFTK fully generic in the floating point type #59

Merged
merged 16 commits into from Nov 18, 2019
Merged

[WIP] Get DFTK fully generic in the floating point type #59

merged 16 commits into from Nov 18, 2019

Commits on Nov 16, 2019

  1. Allow a way to specify tolerance in compute_bands

    @mfherbst
    mfherbst committed Nov 16, 2019
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  2. Adapt Jupyter notebook example for reduced precision

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    mfherbst committed Nov 16, 2019
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  3. Small pymatgen cleanups

    @mfherbst
    mfherbst committed Nov 16, 2019
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  4. Magnesium supercell example

    @mfherbst
    mfherbst committed Nov 16, 2019
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  5. Correct typo

    @mfherbst
    mfherbst committed Nov 16, 2019
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  6. Generic FFTs and LOBPCG

    @mfherbst
    mfherbst committed Nov 16, 2019
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  7. Bugfix HamiltonianBlock

    @mfherbst
    mfherbst committed Nov 16, 2019
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  8. Change way of determining assume_band_gap

    @mfherbst
    mfherbst committed Nov 16, 2019
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  9. Bugfix in Psi truncation

    @mfherbst
    mfherbst committed Nov 16, 2019
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  10. Silicon arbitrary floating point type example

    @mfherbst
    mfherbst committed Nov 16, 2019
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  11. Amend README

    @mfherbst
    mfherbst committed Nov 16, 2019
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  12. Small fixes Ewald

    @mfherbst
    mfherbst committed Nov 16, 2019
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  13. Test for generic reduced HF

    @mfherbst
    mfherbst committed Nov 16, 2019
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  14. Move determine_grid_size to fft.jl

    @mfherbst
    mfherbst committed Nov 16, 2019
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  15. Ensure kweight computation in target type

    @mfherbst
    mfherbst committed Nov 16, 2019
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Commits on Nov 18, 2019

  1. Add relevant files from FourierTransforms.jl as a copy

    @mfherbst
    mfherbst committed Nov 18, 2019
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