options = {
'name': 'input_file',
'track_trajectories': False, # whether to track trajectories for plotting; memory intensive
'track_recoils': True, # whether to track recoils; must enable for sputtering
'track_recoil_trajectories': False, # whether to track recoil trajectories for plotting
'track_displacements': False, # whether to track collisions with T > Ed for each species
'track_energy_losses': False, # whether to track detailed collision energies; memory intensive
'write_buffer_size': 8192, # how big the buffer is for file writing
'weak_collision_order': 0, # weak collisions at radii (k + 1)*r; enable only when required
'suppress_deep_recoils': False, # suppress recoils too deep to ever sputter
'high_energy_free_flight_paths': False, # SRIM-style high energy free flight distances; use with caution
'num_threads': 4, # number of threads to run in parallel
'num_chunks': 10, # code will write to file every nth chunk; for very large simulations, increase num_chunks
'electronic_stopping_mode': 'LOW_ENERGY_LOCAL',
'mean_free_path_model': 'LIQUID', # liquid is amorphous (constant mean free path); gas is exponentially-distributed mean free paths
'interaction_potential': [['ZBL', 'ZBL'],
['ZBL', pot]],
'scattering_integral': [
[{'GAUSS_MEHLER': {'n_points': 9}}, {'GAUSS_MEHLER': {'n_points': 9}}],
[{'GAUSS_MEHLER': {'n_points': 9}}, {'GAUSS_MEHLER': {'n_points': 9}}],
],
'root_finder': [
["DEFAULTNEWTON", "DEFAULTNEWTON"],
["DEFAULTNEWTON", cpr]
],
'seed': 0 # if <0, will generate a seed from thread-local PRNG; if >0, will be used as seed to PRNG
}
Description
Single element targets with multiple interaction potentials were defaulting to an interaction index of 0
To Reproduce
Expected behavior
W-W in this simulation should be simulated with the potential specified with
pot; however, in input.rs, it is defaulted to ZBL.