Documentation# calphy input file main keys element mass calculations block mode temperature pressure lattice reference_phase lattice_constant repeat n_iterations temperature_high npt pair_style pair_coeff potential_file n_equilibration_steps n_switching_steps n_print_steps md block timestep thermostat_damping barostat_damping n_small_steps n_every_steps n_repeat_steps n_cycles queue block scheduler cores jobname walltime queuename memory commands modules options tolerance block spring_constant solid_fraction liquid_fraction pressure melting_temperature block step attempts Running calphy Running calphy on computing clusters Adding a new scheduler Editing scheduler.py Adding calphy to a submission script