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PeriodicTable |  |
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| nlprint | Physical quantities and units |
A set of classes used for constructing the elements from periodic table.
A PeriodicTable object provides the following query functions:
atomicNumber(): Return the atomic number of the element.
symbol(): Return the elements symbol.
name(): Return the name of the element.
atomicMass(): Return the atomic
mass of the element.
Use the elements Hydrogen and Oxygen to set up a
MoleculeConfiguration
# Set up elements and positions
elm = [ Oxygen, Hydrogen, Hydrogen ]
pos = [[ 0.000, 0.000, 0.0],
[ 0.757, 0.586, 0.0],
[-0.757, 0.586, 0.0]]*Angstrom
# Add them to a configuration
h2o = MoleculeConfiguration(elm, pos)
Alternatively, the shorter names H and O
can also be used as in
# Set up elements and positions
elm = [PeriodicTable.O, PeriodicTable.H, PeriodicTable.H]
pos = [[ 0.000, 0.000, 0.0],
[ 0.757, 0.586, 0.0],
[-0.757, 0.586, 0.0]]*Angstrom
# Add them to a configuration
h2o = MoleculeConfiguration(elm, pos)
The entire set of elements from the periodic system, as well as some of their key properties are listed in the atomic data appendix.
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Physical quantities and units |