httk.atomistic.data package

Submodules

httk.atomistic.data.periodictable module

httk.atomistic.data.periodictable.atomic_number(parse)[source]

Helper function to produce an atomic symbol if you have some kind of identifier, but does not know what it is.

httk.atomistic.data.periodictable.atomic_number_isotope(parse)[source]

Helper function to produce an atomic symbol if you have some kind of identifier, but does not know what it is.

httk.atomistic.data.periodictable.atomic_symbol(parse)[source]

Helper function to produce an atomic symbol if you have some kind of identifier, but does not know what it is.

httk.atomistic.data.periodictable.most_common_mass(parse)[source]

httk.atomistic.data.spacegroups module

httk.atomistic.data.spacegroups.find_index(parse)[source]
httk.atomistic.data.spacegroups.get_proper_hm_symbol(parse)[source]
httk.atomistic.data.spacegroups.spacegroup_get_hall(parse)[source]
httk.atomistic.data.spacegroups.spacegroup_get_hm(parse)[source]
httk.atomistic.data.spacegroups.spacegroup_get_number(parse)[source]
httk.atomistic.data.spacegroups.spacegroup_get_number_and_setting(parse)[source]
httk.atomistic.data.spacegroups.spacegroup_get_number_of_settings(number)[source]
httk.atomistic.data.spacegroups.spacegroup_get_schoenflies(parse)[source]

Module contents