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Hamiltonian-MC MD moves don't perform any MD steps #7

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mcaroba opened this issue Jun 10, 2023 · 0 comments

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mcaroba commented Jun 10, 2023

@TiganyZ When I try to run swap and MD moves the MD moves only "perform" 0 MD steps, even though I'm requesting more:

n_mc_types = 2
mc_types = swap MD
thermostat = 'none'
md_nsteps = 20
md_step = 2.
t_beg = 900.
t_end = 900.

I get this kind of output and then no more MD steps follow:

 Hybrid md step: energy =         -425.40117480 , iteration         0 /       20

Is this an wrong usage issue or a possible bug?

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