[particles]
n_particles = 8788
mass = 39.948
max_molecule_size = 1

[simulation]
n_steps = 500000
n_print = 100
n_flush = 2
box_size = [10.491, 10.491, 10.491]
integrator = 'velocity-verlet'
cancel_com_momentum = true        # Whether to remove the center of mass momentum
time_step = 0.2
# temperature
start_temperature = 90
target_temperature = 90
tau = 0.5                         # Thermostat coupling constant
hamiltonian = 'DefaultWithChi'
filter = 'lj'
filter_param = [1.1508, 0.1028, -0.6886, 0.2152]   # [a1, s1, a2, s2]

[field]
mesh_size = [262, 262, 262]
kappa = 1000                      # Compressibilty
sigma = 0                       # Particle spread
rho0 = 8.86                       # Starting density?
chi = [
  ["H", "H", 1.0],
  ["W", "W", 1.0],
]