From 8a4bd5882036570ece642d85e785967386ec7b65 Mon Sep 17 00:00:00 2001 From: Ye Luo Date: Wed, 8 Mar 2023 17:41:00 -0600 Subject: [PATCH] Fix doc. --- docs/methods.rst | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/docs/methods.rst b/docs/methods.rst index e76bb124c5..bb0913f8cf 100644 --- a/docs/methods.rst +++ b/docs/methods.rst @@ -1765,9 +1765,9 @@ 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 @@ -1775,7 +1775,7 @@ After the warm-up phase, the trial energy is updated as 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). @@ -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