no_noise_energies_canon.npy = PES by TDA-QSE
no_noise_ex_energies.npy = PES by Extended-QSE
casci_energies.npy = exact-reference PES
no_noise_grad_hellmanns_canon.npy = HFM forces by VQE-TDA-QSE
no_noise_grad_hellmanns_ex.npy = HFM forces by VQE-Extended-QSE
casci_grads.npy = exact-reference forces
no_noise_grad_fdm_canon_delta_{d:.3f}_r_{r:.2f}.npy = FDM forces by VQE-TDA-QSE of step lenth d at displacement r
no_noise_grad_fdm_ex_delta_{d:.3f}_r_{r:.2f}.npy = FDM forces by VQE-Extended-QSE of step lenth d at displacement r