def test_scafacos_p2nfft(self): self.S.periodicity = [1, 1, 0] self.S.cell_system.set_domain_decomposition() self.S.box_l = [10, 10, 10] scafacos = electrostatics.Scafacos( prefactor=1, method_name="p2nfft", method_params={ "tolerance_field": 5E-5, "pnfft_n": "96,96,128", "pnfft_N": "96,96,128", "r_cut": 2.4, "pnfft_m": 3}) self.S.actors.add(scafacos) self.S.integrator.run(0) self.compare("scafacos_p2nfft", energy=True)
def test_scafacos_p2nfft(self): self.S.periodicity=1,1,0 self.S.cell_system.set_domain_decomposition() self.S.box_l=10,10,10 scafacos=el.Scafacos( prefactor=1, method_name="p2nfft", method_params={ "tolerance_field": 5E-5, "pnfft_n":"96,96,96", "pnfft_N":"96,96,96", "pnfft_m":3}) self.S.actors.add(scafacos) self.S.integrator.run(0) self.compare("scafacos_p2nfft", energy=True) self.S.actors.remove(scafacos)