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Fix doc.
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ye-luo committed Mar 8, 2023
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Expand Up @@ -1765,17 +1765,17 @@ Batched ``dmc`` driver (experimental)

.. math::
E_\text{trial} = E_\text{pop_avg}+(\ln \texttt{targetwalkers}-\ln N_\text{pop}) / \texttt{timestep}
E_\text{trial} = E_\text{pop\_avg}+(\ln \texttt{targetwalkers}-\ln N_\text{pop}) / \texttt{timestep}
where :math:`E_\text{pop_avg}` is the local energy average over the walker population at the current step
where :math:`E_\text{pop\_avg}` is the local energy average over the walker population at the current step
and :math:`N_\text{pop}` is the current walker population size.
After the warm-up phase, the trial energy is updated as

.. math::
E_\text{trial} = E_\text{ref}+\texttt{feedback}\cdot(\ln\texttt{targetWalkers}-\ln N_\text{pop})
where :math:`E_\text{ref}` is the :math:`E_\text{pop_avg}` average over all the post warm-up steps up to the current step. The update frequency is controlled by ``energyUpdateInterval``.
where :math:`E_\text{ref}` is the :math:`E_\text{pop\_avg}` average over all the post warm-up steps up to the current step. The update frequency is controlled by ``energyUpdateInterval``.

- ``energyUpdateInterval``: Post warm-up, the trial energy is updated every
``energyUpdateInterval`` steps. Default value is 1 (every step).
Expand All @@ -1789,9 +1789,9 @@ where :math:`E_\text{ref}` is the :math:`E_\text{pop_avg}` average over all the
equation in ``warmupsteps`` for more details.

- ``refenergy_update_scheme``: choose a scheme for updating :math:`E_\text{ref}` used in calculating :math:`E_\text{trial}`.
'legacy' uses unweighted average of :math:`E_\text{pop_avg}` of all the steps collected post warm-up.
'limited_history' uses weighted average of :math:`E_\text{pop_avg}` of the latest at maximum
min(1, int(1.0 / (feedback * tau))) steps collected post warm-up. Default 'legacy'.
'unlimited_history' uses unweighted average of :math:`E_\text{pop\_avg}` of all the steps collected post warm-up.
'limited_history' uses weighted average of :math:`E_\text{pop\_avg}` of the latest at maximum
min(1, int(1.0 / (feedback * tau))) steps collected post warm-up. Default 'unlimited_history'.

.. code-block::
:caption: The following is an example of a minimal DMC section using the batched ``dmc`` driver
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