diff --git a/openmc/data/photon.py b/openmc/data/photon.py index 2449b0e387..a723b114f1 100644 --- a/openmc/data/photon.py +++ b/openmc/data/photon.py @@ -94,9 +94,8 @@ _COMPTON_PROFILES = {} # Stopping powers are read from a pre-generated HDF5 file when they are first # needed. The dictionary stores an array of energy values at which the other # quantities are tabulated with the key 'energy' and for each element has the -# mass density, the mean excitation energy, and arrays containing the collision -# stopping powers, radiative stopping powers, and the density effect parameter -# stored on the key 'Z'. +# mean excitation energy and arrays containing the collision stopping powers +# and radiative stopping powers stored on the key 'Z'. _STOPPING_POWERS = {} # Scaled bremsstrahlung DCSs are read from a data file provided by Selzter and @@ -368,11 +367,10 @@ class IncidentPhoton(EqualityMixin): Contains the cross sections for each photon reaction. The keys are MT values and the values are instances of :class:`PhotonReaction`. stopping_powers : dict - Dictionary of stopping power data with keys 'energy' (in eV), 'density' - (mass density in g/cm:sup:`3`), 'I' (mean excitation energy), - 's_collision' (collision stopping power in eV cm:sup:`2`/g), - 's_radiative' (radiative stopping power in eV cm:sup:`2`/g), and - 'density_effect' (density effect parameter). + Dictionary of stopping power data with keys 'energy' (in eV), 'I' (mean + excitation energy), 's_collision' (collision stopping power in + eV cm:sup:`2`/g), and 's_radiative' (radiative stopping power in + eV cm:sup:`2`/g) summed_reactions : collections.OrderedDict Contains summed cross sections. The keys are MT values and the values are instances of :class:`PhotonReaction`. @@ -590,11 +588,9 @@ class IncidentPhoton(EqualityMixin): _STOPPING_POWERS['energy'] = f['energy'].value*EV_PER_MEV for i in range(1, 99): group = f['{:03}'.format(i)] - _STOPPING_POWERS[i] = {'density': group.attrs['density'], - 'I': group.attrs['I'], + _STOPPING_POWERS[i] = {'I': group.attrs['I'], 's_collision': group['s_collision'].value, - 's_radiative': group['s_radiative'].value, - 'density_effect': group['density_effect'].value} + 's_radiative': group['s_radiative'].value} # Units are in MeV cm^2/g; convert to eV cm^2/g _STOPPING_POWERS[i]['s_collision'] *= EV_PER_MEV @@ -776,7 +772,7 @@ class IncidentPhoton(EqualityMixin): s_group = group.create_group('stopping_powers') for key, value in self.stopping_powers.items(): - if key in ('density', 'I'): + if key == 'I': s_group.attrs[key] = value else: s_group.create_dataset(key, data=value) diff --git a/scripts/openmc-make-stopping-powers b/scripts/openmc-make-stopping-powers index 8ee9602efa..76ac6686c8 100755 --- a/scripts/openmc-make-stopping-powers +++ b/scripts/openmc-make-stopping-powers @@ -12,7 +12,7 @@ from openmc.data import ATOMIC_SYMBOL base_url = 'https://physics.nist.gov/cgi-bin/Star/e_table-t.pl' energies = np.logspace(-3, 3, 200) data = {'matno': '', 'Energies': '\n'.join(str(x) for x in energies)} -columns = {1: 's_collision', 2: 's_radiative', 4: 'density_effect'} +columns = {1: 's_collision', 2: 's_radiative'} # ============================================================================== # SCRAPE DATA FROM ESTAR SITE AND GENERATE STOPPING POWER HDF5 FILE @@ -41,12 +41,10 @@ with h5py.File('stopping_powers.h5', 'w') as f: # Create group for this element group = f.create_group('{:03}'.format(Z)) - # Write the density and mean excitation energy + # Write the mean excitation energy attributes = np.fromstring(r[3], sep=' ') - group.attrs['density'] = attributes[1] group.attrs['I'] = attributes[2] - # Write collision and radiative stopping powers and density effect - # parameter + # Write collision and radiative stopping powers for i in columns: group.create_dataset(columns[i], data=values[i])