aiida.tools.data.array package#
Tools for manipulating array data classes.
Subpackages#
Submodules#
Tools to operate on TrajectoryData nodes.
- aiida.tools.data.array.trajectory._get_aiida_structure_inline(trajectory, parameters)[source]#
CalcFunction to extract a
aiida.orm.nodes.data.structure.StructureData
from a TrajectoryData.- Parameters
parameters – A dictionary whose key-value pairs are passed as additional kwargs to the :py:meth:
TrajectoryData.get_step_structure
method.