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.. | ||
diagonalize_h.irp.f | ||
fcidump_pyscf.irp.f | ||
fcidump.irp.f | ||
four_idx_transform.irp.f | ||
hcore_guess.irp.f | ||
huckel_guess.irp.f | ||
molden.irp.f | ||
NEED | ||
print_ci_vectors.irp.f | ||
print_dipole.irp.f | ||
print_energy.irp.f | ||
print_hamiltonian.irp.f | ||
print_sorted_wf_coef.irp.f | ||
print_var_energy.irp.f | ||
print_wf.irp.f | ||
README.rst | ||
rotate_mos.irp.f | ||
save_natorb_no_ov_rot.irp.f | ||
save_natorb_no_ref.irp.f | ||
save_natorb.irp.f | ||
save_one_e_dm.irp.f | ||
save_ortho_mos.irp.f | ||
sort_by_fock_energies.irp.f | ||
sort_wf.irp.f | ||
swap_mos.irp.f | ||
truncate_wf.irp.f | ||
write_integrals_erf.irp.f |
===== tools ===== Useful tools are grouped in this module.