Home
last modified time | relevance | path

Searched refs:get_calculator_class (Results 1 – 7 of 7) sorted by relevance

/dports/science/py-ase/ase-3.22.0/ase/test/calculator/vasp/
H A Dtest_vasp_calculator.py8 from ase.calculators.calculator import CalculatorSetupError, get_calculator_class
118 cls_ = get_calculator_class('vasp')
123 assert get_calculator_class(Vasp.name) == cls_
/dports/science/py-ase/ase-3.22.0/ase/test/calculator/
H A Dtest_ch4_energy.py3 from ase.calculators.calculator import get_calculator_class
22 cls = get_calculator_class(self.name)
/dports/science/py-ase/ase-3.22.0/ase/visualize/
H A Dmlab.py8 from ase.calculators.calculator import get_calculator_class
94 calc = get_calculator_class(opts.calculator_name)(arg, txt=None)
/dports/science/py-ase/ase-3.22.0/ase/test/
H A Dfactories.py10 get_calculator_class)
386 from ase.calculators.calculator import get_calculator_class
387 cls = get_calculator_class(self.name)
655 cls = get_calculator_class(name)
741 from ase.calculators.calculator import get_calculator_class
742 cls = get_calculator_class(self.name)
/dports/science/py-ase/ase-3.22.0/ase/cli/
H A Drun.py5 from ase.calculators.calculator import (get_calculator_class,
131 cls = get_calculator_class(self.calculator_name)
/dports/science/py-ase/ase-3.22.0/ase/db/
H A Drow.py8 from ase.calculators.calculator import (get_calculator_class, all_properties,
238 atoms.calc = get_calculator_class(self.calculator)(**params)
/dports/science/py-ase/ase-3.22.0/ase/calculators/
H A Dcalculator.py174 def get_calculator_class(name): function