Lines Matching refs:equilibration

53       -e EQUILIBRATION, --equilibration=EQUILIBRATION
105 of essentially any MC calculation (the “equilibration phase”) do not
119 equilibration period is visible on the left side of the plot.
134 If we exclude none of the equilibration data points, we get an
142 The equilibration period is typically estimated by eye, though a few conservative values should be …
143 unaffected.  In this dataset, the equilibration appears to have been
156 because ``qmca`` makes a heuristic guess at the equilibration period and
209 ``warmupsteps`` (:math:`\sim 100`) so that equilibration bias does not
219 this case sufficient ``warmupsteps`` were used to exit the equilibration
314 leads to slow equilibration and long autocorrelation times.
321 equilibration and long autocorrelation times, we consider the 8-atom
345 the DMC run is inefficiently consumed by equilibration. If we are not
383 used previously, but we would like to shorten the equilibration time
390 equilibration time in the production :math:`0.01` Ha\ :math:`^{-1}` time
409 production run contains only a short equilibration period.
614 equilibration cutoff as discussed in the preceding subsections, we can
712 equilibration input ``-e '30 20 30'`` cuts out from
737 can be seen from the trace plot, the chosen equilibration lengths are
805 the available sampling and equilibration periods.  A formula for
880 Applying an equilibration cutoff to VMC data (series 0):
886 Applying the same equilibration cutoff to VMC and DMC data (series 0, 1, 2):
892 Applying different equilibration cutoffs to VMC and DMC data (series 0, 1, 2):
977    Typical behavior is a short equilibration period followed by benign
982 #. Remove all equilibration steps (``-e`` option) from the data by
1148 we must first understand the equilibration and autocorrelation
1151 an equilibration period of :math:`30` blocks is reasonable. Approximate
1178 time step fit, ``-e 30`` is the equilibration period removed from each
1261     -e EQUILIBRATION, --equilibration=EQUILIBRATION
1302 Apply different equilibration lengths and reblocking factors to each