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Releases: LambrechtLab/libresponse

static linear response

17 Sep 14:46

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Basic functionality to decompose static linear response properties into contributions familiar from the energy decomposition analysis world, e.g. frozen-fragment, polarization, and charge transfer.

static linear response

17 Sep 14:51

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Pre-release

Decomposes molecular response properties into contributions familiar from energy decomposition analysis: frozen-fragment, polarization, and charge transfer. Implementation includes static linear response properties.