Acceptance¶
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class
Acceptance
¶ This object contains information necessary for Criteria to make a decision on whether or not to accept or reject a trial.
Public Functions
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double
ln_metropolis_prob
() const¶ Return the natural logarithm of the Metropolis acceptance probability.
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void
set_ln_metropolis_prob
(const double prob = 0)¶ Set the above quantity.
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void
add_to_ln_metropolis_prob
(const double prob = 0)¶ Add to the above quantity.
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bool
reject
() const¶ Return whether or not to reject the trial outright.
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void
set_reject
(const bool reject = false)¶ Set the above quantity.
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void
reset
()¶ Reset all stored quantities before each trial.
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double
energy_new
() const¶ Return the energy of the new configuration.
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void
set_energy_new
(const double energy)¶ Set the above quantity.
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void
add_to_energy_new
(const double energy)¶ Add to the above quantity.
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double
energy_old
() const¶ Return the energy of the old configuration.
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void
set_energy_old
(const double energy)¶ Set the above quantity.
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void
add_to_energy_old
(const double energy)¶ Return the above quantity.
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double
energy_ref
() const¶ Return the energy of the reference.
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void
set_energy_ref
(const double energy)¶ Set the above quantity.
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int
macrostate_shift
() const¶ Return the shift in the macrostate due to an optimization where Perturb does not completely update system until finalize. This assumes a particular macrostate is used for the given trial.
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void
add_to_macrostate_shift
(const int shift)¶ Add to the above.
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void
set_perturbed_state
(const int state)¶ Set perturbed trial state.
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double