Commit 86a7a231 authored by Lauri Himanen's avatar Lauri Himanen

Removed unnecessary element info function.

parent 42a2b442
......@@ -714,49 +714,3 @@ class CP2KCommonParser(CommonParser):
def wrapper(parser):
self.test_electronic_structure_method = "RPA"
return wrapper
# def debug(self):
# def wrapper(parser):
# print("FOUND")
# return wrapper
# MISC functions
def get_atomic_number(self, symbol):
""" Returns the atomic number when given the atomic symbol.
symbol: atomic symbol as string
The atomic number (number of protons) for the given symbol.
chemical_symbols = [
'X', 'H', 'He', 'Li', 'Be',
'B', 'C', 'N', 'O', 'F',
'Ne', 'Na', 'Mg', 'Al', 'Si',
'P', 'S', 'Cl', 'Ar', 'K',
'Ca', 'Sc', 'Ti', 'V', 'Cr',
'Mn', 'Fe', 'Co', 'Ni', 'Cu',
'Zn', 'Ga', 'Ge', 'As', 'Se',
'Br', 'Kr', 'Rb', 'Sr', 'Y',
'Zr', 'Nb', 'Mo', 'Tc', 'Ru',
'Rh', 'Pd', 'Ag', 'Cd', 'In',
'Sn', 'Sb', 'Te', 'I', 'Xe',
'Cs', 'Ba', 'La', 'Ce', 'Pr',
'Nd', 'Pm', 'Sm', 'Eu', 'Gd',
'Tb', 'Dy', 'Ho', 'Er', 'Tm',
'Yb', 'Lu', 'Hf', 'Ta', 'W',
'Re', 'Os', 'Ir', 'Pt', 'Au',
'Hg', 'Tl', 'Pb', 'Bi', 'Po',
'At', 'Rn', 'Fr', 'Ra', 'Ac',
'Th', 'Pa', 'U', 'Np', 'Pu',
'Am', 'Cm', 'Bk', 'Cf', 'Es',
'Fm', 'Md', 'No', 'Lr'
atomic_numbers = {}
for Z, name in enumerate(chemical_symbols):
atomic_numbers[name] = Z
return atomic_numbers[symbol]
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