def make_inputs(incar, structure, kpoints, settings, codename, queue_name,
num_procs):
load_dbenv_if_not_loaded()
from aiida.orm import CalculationFactory, DataFactory
potcar_cls = get_data_cls('vasp.potcar')
vasp_calc_proc = CalculationFactory('vasp.vasp').process()
inputs = vasp_calc_proc.get_inputs_template()
set_std_inputs(inputs, codename, queue_name, num_procs)
inputs.kpoints = kpoints
inputs.structure = structure
inputs.potential = potcar_cls.get_potcars_from_structure(
family_name='PBE', structure=inputs.structure, mapping=POTCAR_MAP)
inputs.settings = DataFactory('parameter')(dict=settings)
inputs.parameters = DataFactory('parameter')(dict=incar)
return inputs
def inner(calculation_string, code_string, single_core=True):
from aiida.orm import CalculationFactory
process = CalculationFactory(calculation_string).process()
inputs = process.get_inputs_template()
inputs_setup(inputs, code_string=code_string, single_core=single_core)
return process, inputs
