# HBP

Section to define the hbond wannier centre as a collective variables. [Edit on GitHub]

Subsections

- POINT

## Keywords

- ATOMS

- NPOINTS

- RCUT

- SHIFT

## Keyword descriptions

ATOMS: integer[3]

  Keyword can be repeated.

  Aliases: POINTS

  Usage: ATOMS {integer} {integer} {integer}

  Specifies the indexes of atoms/points defining the bond (Od, H, Oa). [Edit on GitHub]

NPOINTS: integer = -1

  Usage: NPOINTS {integer}

  The number of points in the path [Edit on GitHub]

RCUT: real = 2.80028518E-001 [angstrom]

  Usage: RCUT <REAL>

  Parameter used for computing the cutoff radius for searching the wannier centres around an atom [Edit on GitHub]

SHIFT: real = 5.00000000E-001

  Usage: SHIFT <REAL>

  Parameter used for shifting each term in the sum [Edit on GitHub]