Section TABPOT

• This section specifies the input parameters for TABPOT potential type.

• Section path: CP2K_INPUT / FORCE_EVAL / MM / FORCEFIELD / NONBONDED / TABPOT

• This section can be repeated.

• Subsections

  • none

• Keywords

  • ATOMS
  • PARM_FILE_NAME

• Keyword descriptions

  ATOMS
  	ATOMS {Word} {Word}
  	Defines the atomic kind involved
  	This keyword cannot be repeated and it expects precisely 2 words.

  PARM_FILE_NAME
  	PARM_FILE_NAME {String}
  	Specifies the filename that contains the tabulated NONBONDED potential. File structure: the third line of the potential file contains a title. The 4th line contains: 'N', number of data points, 'R', lower bound of distance, distance cutoff. Follow in order npoints lines for index, distance [A], energy [kcal/mol], and force [kcal/mol/A]
  	This keyword cannot be repeated and it expects precisely one string.
  	Alias names for this keyword: PARMFILE