Coverage for examples/D8.py: 100%

1""" A simulation in eight dimensional space """ 

2 

3import numba 

4 

5import gamdpy as gp 

6 

7N = 1024 # Number of particles (65536) 

8temperature = 1.0 

9 

10configuration = gp.Configuration(D=8) 

11configuration.make_positions(N, rho=1.0) 

12configuration['m'] = 1.0 

13configuration.randomize_velocities(temperature) 

14 

15pair_func = numba.njit(gp.harmonic_repulsion) 

16pair_potential = gp.PairPotential(pair_func, params=[2.0, 1.0], max_num_nbs=8192) 

17 

18integrator = gp.integrators.NVT(temperature=temperature, tau=0.08, dt=0.001) 

19 

20runtime_actions = [gp.MomentumReset(100), 

21 gp.TrajectorySaver(), 

22 gp.ScalarSaver(32)] 

23 

24sim = gp.Simulation(configuration, pair_potential, integrator, runtime_actions, 

25 num_timeblocks=16, steps_per_timeblock=128, 

26 storage='memory') 

27 

28for _ in sim.run_timeblocks(): 

29 print(sim.status(per_particle=True)) 

30print(sim.summary())