sponge.colvar.get_colvar

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sponge.colvar.get_colvar(colvar_: Union[Colvar, List[Colvar], Tuple[Colvar]], axis: int = - 1, use_pbc: bool = None, name: str = None)[source]

get group of collective variables.

Parameters

  • colvar (Union[Colvar, List[Colvar], Tuple[Colvar]]) – Colvar or array of colvars.

  • axis (int) – Axis to be concatenated. Default: -1.

  • use_pbc (bool) – Whether to use periodic boundary condition. Default: None.

  • name (str) – Name. Default: None.

Returns

colvar (Union[Atoms, Group]), Atoms or group.