def initialize_particles(n_atoms, temperature, rho):
U = initialize_positions(n_atoms, rho)
box = initialize_box(n_atoms, rho)
V = initialize_velocities(U, temperature)
epot, F, Vir = fortran_lj(U, box)
return U, V, F, box[0]
def initialize_particles(n_atoms, temperature, rho):
U = initialize_positions(n_atoms, rho)
box = initialize_box(n_atoms, rho)
V = initialize_velocities(U, temperature)
epot, F, Vir = fortran_lj(U, box)
return U, V, F, box[0]
def lennard_jones(U, box):
return fortran_lj(U, numpy.array([box,box,box]))
def lennard_jones(U, box):
return fortran_lj(U, numpy.array([box, box, box]))
