Section DEBUG

• Section to setup parameters for debug runs.

• Section path: CP2K_INPUT / DEBUG

• This section cannot be repeated and cannot be optional.

• Subsections

  • PROGRAM_RUN_INFO

• Keywords

  • DEBUG_FORCES
  • DEBUG_STRESS_TENSOR
  • DX

• Keyword descriptions

  DEBUG_FORCES
  	DEBUG_FORCES <LOGICAL>
  	Enables the debug of the forces.
  	This optional keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .TRUE.

  DEBUG_STRESS_TENSOR
  	DEBUG_STRESS_TENSOR <LOGICAL>
  	Enables the debug of the stress tensor
  	This optional keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .TRUE.

  DX
  	DX <REAL>
  	Setup the DX parameter to evaluate numerical derivatives
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-03