Conversion: PSE
Mapping of the Periodic Systems of Elements (PSE) from atomic number to symbols
and vice versa.
-
tad_mctc.convert.pse.number_to_symbol(numbers)[source]
Obtain element symbols from atomic numbers.
- Parameters:
numbers (Tensor) – Atomic numbers.
- Returns:
Element symbols corresponding to the given atomic numbers.
- Return type:
list[str]
-
tad_mctc.convert.pse.symbol_to_number(symbols)[source]
Obtain atomic numbers from element symbols.
- Parameters:
symbols (list[str]) – List of element symbols.
- Returns:
Atomic numbers corresponding to the given element symbols.
- Return type:
Tensor