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Parsing of Mulliken charges from SIESTA stdout #691

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Parsing of Mulliken charges from SIESTA stdout #691

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Commits on Mar 15, 2024

  1. Implemented parsing of total mulliken charges from siesta stdout

    @ahkole
    ahkole committed Mar 15, 2024
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  2. Fix incorrect header for mulliken charges from stdout

    @ahkole
    ahkole committed Mar 15, 2024
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  3. Fix comment in parsing mulliken charges from stdout

    @ahkole
    ahkole committed Mar 15, 2024
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  4. Updated docstring of read_charge to reflect parsing of total Mulliken… 

    … charges
    @ahkole
    ahkole committed Mar 15, 2024
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  5. Made Mulliken charges header consistent with Voronoi and Hirshfeld

    @ahkole
    ahkole committed Mar 15, 2024
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  6. Added parsing of Mulliken charges to CHANGELOG.md

    @ahkole
    ahkole committed Mar 15, 2024
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  7. Tried to add support for parsing Mulliken charges of simpler spin types

    @ahkole
    ahkole committed Mar 15, 2024
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  8. Use self.info.spin to determine spin type for Mulliken charges

    @ahkole
    ahkole committed Mar 15, 2024
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