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Input reference of
CP2K version 2.3 (Revision 12341)
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 and cannot be optional.
Subsections
CONVERGENCE_CONTROL
UVAR
Keywords
none
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(Last update: 3.9.2012)