The CP2K project : input section DEBUG

Section DEBUG

Index of all sections. This section is located at __ROOT__%DEBUG.

Section to setup parameters for debugging runs. This section can not be repeated and can not be optional.

Subsections

Section keywords

Keyword descriptions

NUMERICAL_PRESSURE
NUMERICAL_PRESSURE
Computes the numerical tensor
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
DEBUG_PRESSURE
DEBUG_PRESSURE
To skip the computation of the PRESSURE in a DEBUG run
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: T
DX
DX
Setup the DX parameter to evaluate numerical derivatives
This optional keyword expects a real. Default value: 1.0000000000000000E-03


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