# COORDINATION

Section to define the coordination number as a collective variable. [Edit on GitHub]

Subsections

- POINT

## Keywords

- ATOMS_FROM

- ATOMS_TO

- ATOMS_TO_B

- KINDS_FROM

- KINDS_TO

- KINDS_TO_B

- ND

- ND_B

- NN

- NN_B

- R0

- R0_B

## Keyword descriptions

ATOMS_FROM: integer[ ]

  Keyword can be repeated.

  Aliases: POINTS_FROM

  Usage: ATOMS_FROM {integer} {integer} ..

  Specify indexes of atoms/points building the coordination variable. [Edit on GitHub]

ATOMS_TO: integer[ ]

  Keyword can be repeated.

  Aliases: POINTS_TO

  Usage: ATOMS_TO {integer} {integer} ..

  Specify indexes of atoms/points building the coordination variable. [Edit on GitHub]

ATOMS_TO_B: integer[ ]

  Keyword can be repeated.

  Aliases: POINTS_TO_B

  Usage: ATOMS_TO_B {integer} {integer} ..

  For the CV given by the multiplication of two coorination numbers, here specify indexes of the third set of atoms/points. [Edit on GitHub]

KINDS_FROM: string[ ]

  Keyword can be repeated.

  Usage: KINDS_FROM {CHAR} {CHAR} ..

  Specify alternatively kinds of atoms building the coordination variable. [Edit on GitHub]

KINDS_TO: string[ ]

  Keyword can be repeated.

  Usage: KINDS_TO {CHAR} {CHAR} ..

  Specify alternatively kinds of atoms building the coordination variable. [Edit on GitHub]

KINDS_TO_B: string[ ]

  Keyword can be repeated.

  Usage: KINDS_TO_B {CHAR} {CHAR} ..

  For the CV given by the multiplication of two coorination numbers, here specify alternatively kinds of atoms building the coordination variable. [Edit on GitHub]

ND: integer = 12

  Aliases: EXPON_DENOMINATOR

  Usage: ND {integer}

  Sets the value of the denominator of the exponential factor in the coordination FUNCTION. [Edit on GitHub]

ND_B: integer = 12

  Aliases: EXPON_DENOMINATOR_B

  Usage: ND_B {integer}

  For the CV given by the multiplication of two coorination numbers, Sets the value of the denominator of the exponential factor in the coordination FUNCTION. [Edit on GitHub]

NN: integer = 6

  Aliases: EXPON_NUMERATOR

  Usage: NN {integer}

  Sets the value of the numerator of the exponential factor in the coordination FUNCTION. [Edit on GitHub]

NN_B: integer = 6

  Aliases: EXPON_NUMERATOR_B

  Usage: NN_B {integer}

  For the CV given by the multiplication of two coorination numbers, Sets the value of the numerator of the exponential factor in the coordination FUNCTION. [Edit on GitHub]

R0: real = 3.00000000E+000 [bohr]

  Aliases: R_0

  Usage: R0 {real}

  Specify the R0 parameter in the coordination function. [Edit on GitHub]

R0_B: real = 3.00000000E+000 [bohr]

  Aliases: R_0_B

  Usage: R0_B {real}

  For the CV given by the multiplication of two coorination numbers, specify the R0 parameter in the second coordination function. [Edit on GitHub]