def get_rcut(self):
if not self.log:
return None;
# go through the list of only the active particle types in the sim
ntypes = hoomd.context.current.system_definition.getParticleData().getNTypes();
type_list = [];
for i in range(0,ntypes):
type_list.append(hoomd.context.current.system_definition.getParticleData().getNameByType(i));
# update the rcut by pair type
r_cut_dict = nl.rcut();
r_max_dict = {typ: sqrt(max(sum(p*p for p in point)
for point in self.vertices[typ]))
for typ in self.vertices};
for i in range(ntypes):
for j in range(i, ntypes):
(typei, typej) = type_list[i], type_list[j];
r_cut_dict.set_pair(typei, typej,
r_max_dict.get(typei, 0) + r_max_dict.get(typej, 0) +
self.radius*2*2.0**(1./6) + self.d_max - 1);
r_cut_dict.fill();
return r_cut_dict;
def get_rcut(self):
# go through the list of only the active particle types in the simulation
ntypes = hoomd.context.current.system_definition.getParticleData().getNTypes()
type_list = []
for i in range(0, ntypes):
type_list.append(hoomd.context.current.system_definition.getParticleData().getNameByType(i))
# update the rcut by pair type
r_cut_dict = nl.rcut()
for i in range(0, ntypes):
for j in range(i, ntypes):
# get the r_cut value
r_cut_dict.set_pair(type_list[i], type_list[j], self.r_cut_new)
return r_cut_dict
def get_rcut(self):
# go through the list of only the active particle types in the simulation
ntypes = hoomd.context.current.system_definition.getParticleData().getNTypes()
type_list = []
for i in range(0, ntypes):
type_list.append(hoomd.context.current.system_definition.getParticleData().getNameByType(i))
# update the rcut by pair type
r_cut_dict = nl.rcut()
for i in range(0, ntypes):
for j in range(i, ntypes):
# get the r_cut value
r_cut_dict.set_pair(type_list[i], type_list[j], self.r_cut_new)
return r_cut_dict
def get_rcut(self):
# go through the list of only the active particle types in the sim
ntypes = hoomd.context.current.system_definition.getParticleData().getNTypes()
type_list = []
for i in range(0, ntypes):
type_list.append(hoomd.context.current.system_definition.getParticleData().getNameByType(i))
my_typeid = type_list.index(self.type)
# update the rcut by pair type
r_cut_dict = nl.rcut()
for i in range(0, ntypes):
for j in range(i, ntypes):
# interaction only for one particle type pair
if i == my_typeid and j == my_typeid:
# get the r_cut value
r_cut_dict.set_pair(type_list[i], type_list[j], self.r_cut)
else:
r_cut_dict.set_pair(type_list[i], type_list[j], -1.0)
return r_cut_dict
def get_rcut(self):
# go through the list of only the active particle types in the sim
ntypes = hoomd.context.current.system_definition.getParticleData(
).getNTypes()
type_list = []
for i in range(0, ntypes):
type_list.append(hoomd.context.current.system_definition.
getParticleData().getNameByType(i))
my_typeid = type_list.index(self.type)
# update the rcut by pair type
r_cut_dict = nl.rcut()
for i in range(0, ntypes):
for j in range(i, ntypes):
# interaction only for one particle type pair
if i == my_typeid and j == my_typeid:
# get the r_cut value
r_cut_dict.set_pair(type_list[i], type_list[j], self.r_cut)
else:
r_cut_dict.set_pair(type_list[i], type_list[j], -1.0)
return r_cut_dict
