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