def write_input(self, atoms, properties=None, system_changes=None):
"""Write VASP inputfiles, INCAR, KPOINTS and POTCAR"""
# Create the folders where we write the files, if we aren't in the
# current working directory.
if self.directory != os.curdir and not os.path.isdir(self.directory):
os.makedirs(self.directory)
self.initialize(atoms)
GenerateVaspInput.write_input(self, atoms, directory=self.directory)
def write_input(self, atoms, properties=['energies'],
system_changes=all_changes):
"""Write VASP inputfiles, INCAR, KPOINTS and POTCAR"""
# Create the folders where we write the files, if we aren't in the
# current working directory.
FileIOCalculator.write_input(self, atoms, properties, system_changes)
self.initialize(atoms)
GenerateVaspInput.write_input(self, atoms, directory=self.directory)