lmodea_k.usercoords

\(\newcommand{\AA}{\text{Å}}\)

lmodea_k.usercoords#

Classes

AtomCoordinate(coord_type, atoms, Rl)

Atom-based coordinate definition (bond, angle, dihedral, etc.).

CoordinateSpecification()

High-level container for all user-defined geometry specifications.

FeatureCoordinate(coord_type, groups[, ...])

Feature-based coordinate (interaction, rigid-body modes, etc.).

GroupSpec(name, atoms, Rl)

Definition of a named group of atoms.