def __init__(self, name=None): hoomd.util.print_status_line() # check that some bonds are defined if hoomd.context.current.system_definition.getBondData().getNGlobal( ) == 0: hoomd.context.msg.error("No bonds are defined.\n") raise RuntimeError("Error creating bond forces") # initialize the base class _bond.__init__(self, name) # create the c++ mirror class if not hoomd.context.exec_conf.isCUDAEnabled(): self.cpp_force = _md.PotentialBondFENE( hoomd.context.current.system_definition, self.name) else: self.cpp_force = _md.PotentialBondFENEGPU( hoomd.context.current.system_definition, self.name) hoomd.context.current.system.addCompute(self.cpp_force, self.force_name) # setup the coefficient options self.required_coeffs = ['k', 'r0', 'epsilon', 'sigma']
def __init__(self, name=None): # initialize the base class _bond.__init__(self, name) # create the c++ mirror class if not hoomd.context.current.device.cpp_exec_conf.isCUDAEnabled(): self.cpp_force = _md.PotentialBondFENE( hoomd.context.current.system_definition, self.name) else: self.cpp_force = _md.PotentialBondFENEGPU( hoomd.context.current.system_definition, self.name) hoomd.context.current.system.addCompute(self.cpp_force, self.force_name) # setup the coefficient options self.required_coeffs = ['k', 'r0', 'epsilon', 'sigma']