Skip to main content
. Author manuscript; available in PMC: 2023 Aug 17.
Published in final edited form as: J Chem Theory Comput. 2023 Jul 13;19(15):5047–5057. doi: 10.1021/acs.jctc.3c00226

Figure 2:

Figure 2:

Post-convergence Error Distribution Comparison with and without the Use of Historical Data. This figure presents the error distribution after achieving convergence when employing historical data compared to not using it. It illustrates that the use of historical data results in larger errors compared to using the permanent field (αEperm) as the initial guess. The convergence tolerance for this analysis is set at 10−4.