pyiron_atomistics.thermodynamics.interfacemethod.calc_temp_iteration

pyiron_atomistics.thermodynamics.interfacemethod.calc_temp_iteration#

pyiron_atomistics.thermodynamics.interfacemethod.calc_temp_iteration(basis, temperature_next, project_parameter, timestep, nve_run_time_steps, fit_range, center, debug_plot=True)[source]#
Parameters:

  • basis

  • temperature_next

  • project_parameter

  • timestep

  • nve_run_time_steps

  • fit_range

  • center

  • debug_plot

Returns: