def run(self, name=None, **kwargs):
kwargs['no_subfolder'] = False
if not name:
kwargs['new_name'] = self.molecule.name
else:
kwargs['new_name'] = name
self.setting.update(kwargs)
return univ.runCode(self, PlanewaveInput, name, **self.setting)
def run(self, name=None, **kwargs):
kwargs['no_subfolder'] = False
if not name:
kwargs['new_name'] = self.molecule.name
else:
kwargs['new_name'] = name
self.setting.update(kwargs)
return univ.runCode(self, PlanewaveInput, name, **self.setting)
def run(self, name=None, **kwargs):
self.setting.update(kwargs)
return univ.runCode(self, WaveletInput, name, **self.setting)
def run(self, name=None, **kwargs): self.setting.update(kwargs) return univ.runCode(self, PlanewaveInput, name, **self.setting)
def run(self, name=None, **kwargs): self.setting.update(kwargs) return univ.runCode(self, GaussianBasisInput, name, **self.setting)
def run(self, name=None, **kwargs):
self.setting.update(kwargs)
return univ.runCode(self, GaussianBasisInput, name, **self.setting)
