SingleSCFplotting {SCFMonitor} | R Documentation |
An internal function plots the generated single-round SCF convergence tibble
SCFData |
The tibble generated by SingleRoundOptiSCFIntegratedMonitor() describing the SCF convergence process for single round of optimization(or other Gaussian job types). |
SCFconver |
A numeric vector showing the SCF convergence requirement read from the gaussian .log file. |
No return value, called for side effects
library(dplyr)
library(stringr)
library(ggplot2)
library(tidyr)
temp_dat <- OptiSCFMonitorAsList(SCFMonitorExample())
SingleSCFplotting(temp_dat[[1]][[5]], SCFconver = -log10(temp_dat[[2]]))