def import_kpoints(self, kpoints):
"""
**Method:** Takes Pymatgen Kpoints object and internally sets
kpoints node.
*Input:*
:kpoints: Pymatgen Kpoints object.
"""
try:
assert type(kpoints) == vaspio.Kpoints
kpoints = ParameterData(dict=kpoints.as_dict())
self.use_kpoints(kpoints)
except:
print("Invalid input type ({})!"
"Please provide a valid Pymatgen Kpoints object.").format(
type(kpoints))
def import_potcar(self, potcar):
"""
**Method:** Takes Pymatgen Potcar object and internally sets
potcar node.
*Input:*
:kpoints: Pymatgen Potcar object.
"""
try:
assert type(potcar) == vaspio.Potcar
potcar = ParameterData(dict=potcar.as_dict())
self.use_potcar(potcar)
except:
print("Invalid input type ({})!"
"Please provide a valid Pymatgen Potcar object.").format(
type(potcar))
def import_incar(self, incar):
"""
**Method:** Takes Pymatgen Incar object and internally sets
incar node.
*Input:*
:incar: Pymatgen Incar object.
"""
try:
assert type(incar) == vaspio.Incar
incar = ParameterData(dict=incar.as_dict())
self.use_incar(incar)
except:
print("Invalid input type ({})!"
"Please provide a valid Pymatgen Incar object.").format(
type(incar))