OptiSCFConvergenceRoundMonitor {SCFMonitor} | R Documentation |
This function reads a log file automatically and generate a plot showing the steps it takes to reach SCF convergence for each optimization process.
directory |
A string vector describing the directory of the Gaussian log file. |
No return value, called for side effects
library(ggplot2)
OptiSCFConvergenceRoundMonitor(SCFMonitorExample())