def __init__(self, net1, net2):
super().__init__()
#HNN_base._obj_count += 1
#assert (HNN_base._obj_count == 1), type(self).__name__ + " has more than one object"
self.net1 = net1 # network for dHdq1
self.net2 = net2 # network for dHdq2
# append term to calculate dHdq
super().append(lennard_jones())
super().append(kinetic_energy())
# dhdq1
self.sumRx1 = 0. # set 0 to sum Rx over batch size
self.sumRy1 = 0. # set 0 to sum Ry over batch size
self.R_cnt1 = 0. # count the number of batch size
# dhdq2
self.sumRx2 = 0. # set 0 to sum Rx over batch size
self.sumRy2 = 0. # set 0 to sum Ry over batch size
self.R_cnt2 = 0. # count the number of batch size
print('HNN_base initialized')
self.dt = 0 # set 0
def __init__(self, fhnn, pwhnn):
super().__init__()
self.fhnn = fhnn
self.pwhnn = pwhnn
super().append(lennard_jones())
super().append(kinetic_energy())
def __init__(self):
noML_hamiltonian._obj_count += 1
assert (noML_hamiltonian._obj_count == 1), type(self).__name__ + " has more than one object"
super().__init__()
super().append(lennard_jones())
super().append(kinetic_energy())
print('noML_hamiltonian initialized')
