CP2K_INPUT / FORCE_EVAL / SUBSYS / TOPOLOGY / MOL_SET

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Input reference of CP2K version 2023.1

Section MOL_SET

Specify the connectivity of a full system specifying the connectivity of the fragments of the system.

Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / TOPOLOGY / MOL_SET

This section cannot be repeated.

Subsections
- MERGE_MOLECULES
- MOLECULE

Keywords
- none

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(Last update: 31.12.2022)