pyiron_atomistics.thermodynamics.interfacemethod.next_step_funct

pyiron_atomistics.thermodynamics.interfacemethod.next_step_funct#

pyiron_atomistics.thermodynamics.interfacemethod.next_step_funct(number_of_atoms, key_max, structure_left, structure_right, temperature_left, temperature_right, distribution_initial_half, structure_after_minimization, run_time_steps, project_parameter)[source]#
Parameters:

  • number_of_atoms

  • key_max

  • structure_left

  • structure_right

  • temperature_left

  • temperature_right

  • distribution_initial_half

  • structure_after_minimization

  • run_time_steps

  • project_parameter

Returns: