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[WIP] Anisotropic Ewald code #2182

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[WIP] Anisotropic Ewald code #2182

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+1,711 −141

Commits on Jan 3, 2020

  1. add anisotropic ewald code

    @jtkrogel
    jtkrogel committed Jan 3, 2020
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  2. remove commented code

    @jtkrogel
    jtkrogel committed Jan 3, 2020
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  3. fix typos in comments

    @jtkrogel
    jtkrogel committed Jan 3, 2020
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Commits on Jan 6, 2020

  1. add namespace, const, and light function docs

    @jtkrogel
    jtkrogel committed Jan 6, 2020
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  2. split off cpp file for EwaldRef

    @jtkrogel
    jtkrogel committed Jan 6, 2020
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  3. comparing aniso and qmcpack ewald

    @jtkrogel
    jtkrogel committed Jan 6, 2020
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Commits on Jan 7, 2020

  1. merge with develop

    @jtkrogel
    jtkrogel committed Jan 7, 2020
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Commits on Jan 8, 2020

  1. start optimized ewald

    @jtkrogel
    jtkrogel committed Jan 8, 2020
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Commits on Jan 9, 2020

  1. cleanup state machine

    @jtkrogel
    jtkrogel committed Jan 9, 2020
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  2. rename functions

    @jtkrogel
    jtkrogel committed Jan 9, 2020
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Commits on Jan 13, 2020

  1. add SR and LR error bounds

    @jtkrogel
    jtkrogel committed Jan 13, 2020
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  2. add search to enforce bounds

    @jtkrogel
    jtkrogel committed Jan 13, 2020
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  3. enable accuracy vs time comparisons

    @jtkrogel
    jtkrogel committed Jan 13, 2020
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