casm.quantumespresso.qeio.QUANTUM_ESPRESSO_FLOAT_LIST

casm.quantumespresso.qeio.QUANTUM_ESPRESSO_FLOAT_LIST = {'CELL': ['press', 'wmass', 'cell_factor', 'press_conv_thr'], 'CONTROL': ['dt', 'max_seconds', 'etot_conv_thr', 'forc_conv_thr'], 'ELECTRONS': ['conv_thr', 'conv_thr_init', 'conv_thr_multi', 'mixing_beta', 'diago_thr_init', 'efield', 'efield_cart(1)', 'efield_cart(2)', 'efield_cart(3)'], 'IONS': ['tempw', 'tolp', 'delta_t', 'upscale', 'trust_radius_max', 'trust_radius_max', 'trust_radius_ini', 'w_1', 'w_2'], 'SYSTEM': ['celldm(1)', 'celldm(2)', 'celldm(3)', 'celldm(4)', 'celldm(5)', 'celldm(6)', 'a', 'b', 'c', 'cosab', 'cosac', 'cosbc', 'tot_charge', 'ecutwfc', 'ecutrho', 'degauss', 'ecfixed', 'qcutz', 'q2sigma', 'exx_fraction', 'screening_parameter', 'ecutvcut', 'emaxpos', 'eopreg', 'eamp', 'fixed_magnetization(1)', 'fixed_magnetization(2)', 'fixed_magnetization(3)lambda', 'esm_w', 'esm_efield', 'fcp_mu', 'london_s6', 'london_rcut', 'xdm_a1', 'xdm_a2']}

dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object’s

(key, value) pairs

dict(iterable) -> new dictionary initialized as if via:

d = {} for k, v in iterable:

d[k] = v

dict(**kwargs) -> new dictionary initialized with the name=value pairs

in the keyword argument list. For example: dict(one=1, two=2)