Update __init__.py

artisatomic/__init__.py

@@ -866,26 +866,32 @@ def match_hydrogenic_phixs(
     mc_squared = 0.5109989461 * 1e6  # electron mass in eV
 
     photoionization_crosssections = np.zeros((len(energy_levels), args.nphixspoints))
-    photoionization_targetfractions = [[(1, 1.0)] for _ in energy_levels]
+    photoionization_targetfractions: list = [[] for _ in energy_levels]
     photoionization_thresholds_ev = np.zeros(len(energy_levels))
     phixstables = {}
     for lowerlevelid, level in enumerate(energy_levels[1:], 1):
-        n = get_n(level.levelname)
+        if lowerlevelid > 100:
+            # limit levels with hydrogenic photoionization cross sections
+            break
         en_ev = hc_in_ev_cm * level.energyabovegsinpercm
         threshold_ev = ionization_energy_ev - en_ev
         photoionization_thresholds_ev[lowerlevelid] = threshold_ev
         lambda_angstrom = hc_in_ev_angstrom / threshold_ev
-        assert lambda_angstrom > 0.0
+        if lambda_angstrom <= 0.0:
+            continue
+
+        n = get_n(level.levelname)
         effective_charge_squared = threshold_ev * 2 * (n**2) / alpha_squared / mc_squared
         phixstables[lowerlevelid] = (
             readhillierdata.get_hydrogenic_n_phixstable(lambda_angstrom=lambda_angstrom, n=n) / effective_charge_squared
         )
+        photoionization_targetfractions[lowerlevelid] = [(1, 1.0)]
 
     reduced_phixs_dict = reduce_phixs_tables(
         phixstables, args.optimaltemperature, args.nphixspoints, args.phixsnuincrement
     )
-    for lowerlevelid, enlevel in enumerate(energy_levels[1:], 1):
-        photoionization_crosssections[lowerlevelid] = reduced_phixs_dict[lowerlevelid]
+    for lowerlevelid, reduced_phixs_table in reduced_phixs_dict.items():
+        photoionization_crosssections[lowerlevelid] = reduced_phixs_table
 
     return photoionization_crosssections, photoionization_targetfractions, photoionization_thresholds_ev