CP2K_INPUT / MOTION / FREE_ENERGY / UMBRELLA_INTEGRATION

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Input reference of CP2K version 9.1

Section UMBRELLA_INTEGRATION

Controls the calculation of free energy derivatives with the umbrella integration method.

Section path: CP2K_INPUT / MOTION / FREE_ENERGY / UMBRELLA_INTEGRATION

This section cannot be repeated.

Subsections
- CONVERGENCE_CONTROL
- UVAR

Keywords
- none

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(Last update: 31.12.2021)