def runTest(self):
ewald=EwaldGpu(bjerrum_length=self.test_params["bjerrum_length"], num_kx=self.test_params["num_kx"], num_ky=self.test_params["num_ky"], num_kz=self.test_params["num_kz"], rcut=self.test_params["rcut"], accuracy=self.test_params["accuracy"], precision=self.test_params["precision"], alpha=self.test_params["alpha"], time_calc_steps=self.test_params["time_calc_steps"], K_max=self.test_params["K_max"])
self.es.actors.add(ewald)
set_params=ewald._getParamsFromEsCore()
SAME=True
for i in self.test_params.keys():
if set_params[i] != self.test_params[i]:
print "Parameter mismatch: ", i, set_params[i], self.test_params[i]
SAME=False
break
return SAME
def runTest(self):
ewald = EwaldGpu(bjerrum_length=self.test_params["bjerrum_length"], num_kx=self.test_params["num_kx"], num_ky=self.test_params["num_ky"], num_kz=self.test_params["num_kz"], rcut=self.test_params[
"rcut"], accuracy=self.test_params["accuracy"], precision=self.test_params["precision"], alpha=self.test_params["alpha"], time_calc_steps=self.test_params["time_calc_steps"], K_max=self.test_params["K_max"])
self.es.actors.add(ewald)
set_params = ewald._getParamsFromEsCore()
SAME = True
for i in self.test_params.keys():
if set_params[i] != self.test_params[i]:
print "Parameter mismatch: ", i, set_params[i], self.test_params[i]
SAME = False
break
return SAME
def runTest(self):
es = espressomd.System()
test_params = {}
test_params["bjerrum_length"] = 2
test_params["num_kx"] = 2
test_params["num_ky"] = 2
test_params["num_kz"] = 2
test_params["K_max"] = 10
test_params["time_calc_steps"] = 100
test_params["rcut"] = 0.9
test_params["accuracy"] = 1e-1
test_params["precision"] = 1e-2
test_params["alpha"] = 3.5
ewald = EwaldGpu(**test_params)
es.actors.add(ewald)
self.assertTrue(params_match(test_params, ewald._get_params_from_es_core()))
def runTest(self):
es = espressomd.System()
test_params = {}
test_params["bjerrum_length"] = 2
test_params["num_kx"] = 2
test_params["num_ky"] = 2
test_params["num_kz"] = 2
test_params["K_max"] = 10
test_params["time_calc_steps"] = 100
test_params["rcut"] = 0.9
test_params["accuracy"] = 1e-1
test_params["precision"] = 1e-2
test_params["alpha"] = 3.5
ewald = EwaldGpu(**test_params)
es.actors.add(ewald)
self.assertTrue(
params_match(test_params, ewald._get_params_from_es_core()))