def abicomp_dfpt2_scf(options): """ Compare DFPT SCF cycles. """ paths = options.paths f0 = abilab.AbinitOutputFile(paths[0]) figures = f0.compare_d2de_scf_cycles(paths[1:]) if not figures: cprint("Cannot find DFPT-SCF sections in output files.", "yellow") return 0
def abicomp_gs_scf(options): """ Compare ground-state SCF cycles. """ paths = options.paths f0 = abilab.AbinitOutputFile(paths[0]) figures = f0.compare_gs_scf_cycles(paths[1:]) if not figures: cprint("Cannot find GS-SCF sections in output files.", "yellow") return 0