In reply to @askhl:matrix.org

    opt = FIRE2(a,
                dt=0.1,
                maxstep=0.2,
                dtmax=1.0,
                Nmin=20,
                finc=1.1,
                fdec=0.5,
                astart=0.25,
                fa=0.99)
    opt.run(fmax=0.001)
    e1 = a.get_potential_energy()
    n1 = opt.nsteps

    a = system_setup()

    reset_history = []

    def callback(a, r, e, e_last):
        reset_history.append([e - e_last])

    opt = FIRE2(a,
                dt=0.1,
                maxstep=0.2,
                dtmax=1.0,
                Nmin=20,
                finc=1.1,
                fdec=0.5,
                astart=0.25,
                fa=0.99,
                abc=True,
                position_reset_callback=callback)

Here (for example) there are two calls to FIRE2. Many of the parameters are the same. What about:

def new_fire2(arg1, arg2):
    return FIRE2(arg1=arg1, arg2=arg2, <all the things that are the same go here>)

In reply to @askhl:matrix.org
sebastianecheverrir: Thanks, You'll need to merge from master and push in order for tests to pass. This is due to unrelated updates

In reply to @sebastianecheverrir:matrix.org
Andrew Rosen: Thanks for fixing this issue. It seems that everything is now ready to incorporate ABCFire into the main branch!
In case something else is needed, please do not hesitate to tell me

In reply to @arosen:matrix.org
I left you one remaining comment to address. Thanks! 👍️