pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
Changes the default value of acidity in define_particle and set_particle_acidity to None:
The behavior of setting acidity = "inert" is now substituted by acidity = None.
A DeprecationWarning is printed to screen if the user sets acidity = "inert", warning the user that this keyword is obsolete and may be deprecated in the future. pyMBE proceeds by replacing acidity = "inert" to acidity = None for backwards compatibility.
Changes the default value of
acidityindefine_particleandset_particle_aciditytoNone:acidity = "inert"is now substituted byacidity = None.acidity = "inert", warning the user that this keyword is obsolete and may be deprecated in the future. pyMBE proceeds by replacingacidity = "inert"toacidity = Nonefor backwards compatibility.