Section PIGLET

• Controls the PI Generalized Langevin Equation thermostat. Needs the exact harmonic integrator

• Section path: CP2K_INPUT / MOTION / PINT / PIGLET

• This section cannot be repeated.

• This section cites the following reference: [Ceriotti2012]

• Subsections

  • EXTRA_DOF
  • RNG_INIT

• Keywords

  • MATRICES_FILE_NAME
  • NEXTRA_DOF
  • SMATRIX_INIT

• Keyword descriptions

  MATRICES_FILE_NAME
  	MATRICES_FILE_NAME {String}
  	Filename containig the raw matrices from https://epfl-cosmo.github.io/gle4md/index.html?page=matrix
  	This keyword cannot be repeated and it expects precisely one string.
  	Default value: PIGLET.MAT

  NEXTRA_DOF
  	NEXTRA_DOF {Integer}
  	Number of extra degrees of freedom to ensure markovian dynamics
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 8

  SMATRIX_INIT
  	SMATRIX_INIT {Keyword}
  	Select algorithm to initialize piglet S-matrices
  	This keyword cannot be repeated and it expects precisely one keyword.
  	Default value: CHOLESKY
  	List of valid keywords: CHOLESKY Without description, yet. DIAGONAL Without description, yet.