Corrected the total occupation for holes for cnum_check

imaliyov · imaliyov · commit 3fa449a22e0d · 2025-05-11T15:50:32.000+02:00
diff --git a/src/perturbopy/postproc/utils/spectra_generate_pulse.py b/src/perturbopy/postproc/utils/spectra_generate_pulse.py
@@ -517,6 +517,7 @@ def setup_pump_pulse(elec_pump_pulse_path, hole_pump_pulse_path,
         total_occ_hole_write = total_occ_hole.copy()
         total_occ_hole_write = total_occ_hole_write.T
         total_occ_hole_write = np.expand_dims(total_occ_hole_write, axis=0)
+        total_occ_hole_write = 1.0 - total_occ_hole_write
         hole_dyna_run.to_cdyna_h5(hole_dyna_run.prefix,
                                   hole_dyna_run._energies,
                                   total_occ_hole_write,
