diff --git a/simulationworkflowschema/molecular_dynamics.py b/simulationworkflowschema/molecular_dynamics.py index 41ee7c9..53ad9ee 100644 --- a/simulationworkflowschema/molecular_dynamics.py +++ b/simulationworkflowschema/molecular_dynamics.py @@ -392,7 +392,7 @@ class BarostatParameters(ArchiveSection): ) -class ShearFlowParameters(ArchiveSection): +class ShearParameters(ArchiveSection): """ Section containing the parameters pertaining to the shear flow for a molecular dynamics run. """ @@ -724,9 +724,7 @@ class MolecularDynamicsMethod(SimulationWorkflowMethod): barostat_parameters = SubSection(sub_section=BarostatParameters.m_def, repeats=True) - shear_flow_parameters = SubSection( - sub_section=ShearFlowParameters.m_def, repeats=True - ) + shear_parameters = SubSection(sub_section=ShearParameters.m_def, repeats=True) free_energy_calculation_parameters = SubSection( sub_section=FreeEnergyCalculationParameters.m_def, repeats=True