Reset sampling before get_std_sampled_data

[jmlorenzi]

Hi Max,
Mie realized there's a problem, that I consider a bug.

How to reproduce:
Take any model, and do something like this

nrel = 1e6; nsample = 1e6  # numerical parameters
Ts = range(450,650,20)     # 20 values between 450 and 650 K
TOFs = []                  # empty list for output
# Loop over the temperature
for T in Ts:
    model.parameters.T = T   # Set the temperature
    model.do_steps(nrel)     # Relax the system
    # Sample the reactivity
    output = model.get_std_sampled_data(1, nsample, output='dict')
    # Collect output
    TOFs.append(output['CO_oxidation'])

We think that this will include the 'relaxation steps' in the sampling. IMO this should not be the case. I believe this is easily solved with this patch.

Best
Juan

[mhoffman]

Thanks. I created a new release from it (0.3.17).