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I just installed Molly using the Julia package manager. I'm using Julia 1.11.3. I tried the example on the doc page:
using Molly
n_atoms = 100
box_size = 2.0u"nm"
temp = 298u"K"
mass = 10.0u"u"
atoms = [Atom(mass=mass, σ=0.3u"nm", ϵ=0.2u"kJ * mol^-1") for i in 1:n_atoms]
coords = placeatoms(n_atoms, box_size, 0.3u"nm")
velocities = [velocity(mass, temp) for i in 1:n_atoms]
general_inters = (LennardJones(),)
s = Simulation(
simulator=VelocityVerlet(),
atoms=atoms,
general_inters=general_inters,
coords=coords,
velocities=velocities,
temperature=temp,
box_size=box_size,
thermostat=AndersenThermostat(1.0u"ps"),
loggers=Dict("temp" => TemperatureLogger(100)),
timestep=0.002u"ps",
n_steps=10_000,
)
simulate!(s)
But it does not work. It fails with:
ERROR: LoadError: UndefVarError: `placeatoms` not defined in `Main`
Stacktrace:
[1] top-level scope
@ ~/Documents/Molly_test.jl:9
in expression starting at /home/wind/Documents/Molly_test.jl:9
The text was updated successfully, but these errors were encountered:
Hi,
I just installed Molly using the Julia package manager. I'm using Julia 1.11.3. I tried the example on the doc page:
But it does not work. It fails with:
The text was updated successfully, but these errors were encountered: