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']