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Fix frequency-dependent iterative CPHF #91

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Fix frequency-dependent iterative CPHF #91

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Commits on Jan 15, 2020

  1. Tighten ground-state SCF convergence thresholds

    @berquist
    berquist committed Jan 15, 2020
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  2. Make sure the RHS and response vectors from a previous run are cleare… 

    …d out
    @berquist
    berquist committed Jan 15, 2020
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  3. Initial rework of dynamic iterative CPHF

    @berquist
    berquist committed Jan 15, 2020
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Commits on Jan 18, 2020

  1. Fix storage of RHS and response vectors for dynamic iterative solver

    @berquist
    berquist committed Jan 18, 2020
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Commits on Jan 19, 2020

  1. Replace loop update of AU with block assignment

    @berquist
    berquist committed Jan 19, 2020
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  2. Fully vectorize dynamic iterative solver

    @berquist
    berquist committed Jan 19, 2020
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  3. Remove explicit counts for number of perturbation matrices

    @berquist
    berquist committed Jan 19, 2020
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  4. Update code documentation

    @berquist
    berquist committed Jan 19, 2020
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  5. Move JK object initialization up

    @berquist
    berquist committed Jan 19, 2020
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  6. Remove duplicate resets of x abd rhsvecs

    @berquist
    berquist committed Jan 19, 2020
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Commits on Jan 22, 2020

  1. Switch from matmul operator to np.dot

    @berquist
    berquist committed Jan 22, 2020
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