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)
