hyperfine.implantation.dpass.create_job_file

hyperfine.implantation.dpass.create_job_file(Z_projectile: int, Z_target: int, print_header: int = 1, output_units: int = 0, target_mass: None | float = None, target_density: None | float = None, raw_data: int = 1, energy_min: float = 0.001, energy_max: float = 1000.0, energy_points: int = 1000, mesh: int = 1) → None[source]

Create a new job file (DPASS.job) in the current directory.

Parameters:

Z_projectile – Atomic number of the projectile atom.
Z_target – Atomic number of the target atom.
print_header – Print header lines in DPASS.out (0 = no header; 1 = print header).
output_units – Units for the stopping cross sections (0 = 10^-15 eV cm²; 1 = MeV cm² mg^-1; 2 = eV nm^-1).
target_mass – Target atomic mass [for output_units = 1 or 2] (u).
target_density – Target density [for output_units = 2] (g cm^-3).
raw_data – Use tabulated or spline interpolated points (0 = spline interpolated points; 1 = raw tabulated points).
energy_min – Minimum projectile energy [for raw_data = 0] (MeV u^-1).
energy_max – Maximum projectile energy [for raw_data = 0] (MeV u^-1).
energy_points – Number of energy points [for raw_data = 0].
mesh – Sampling mesh for energy points [for ``raw_data = 0] (0 = linear; 1 = logarithmic).