CP2K_INPUT / FORCE_EVAL / QMMM / FORCE_MIXING / BUFFER_LINKS

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Input reference of CP2K version 2023.1

Section BUFFER_LINKS

Information about possible links for automatic covalent bond breaking for the buffer QM/MM calculation.Ignored - need to implement buffer selection by atom and walking of connectivity data.

Section path: CP2K_INPUT / FORCE_EVAL / QMMM / FORCE_MIXING / BUFFER_LINKS

This section can be repeated.

Subsections
- LINK

Keywords
- none

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(Last update: 31.12.2022)