OptiSCFConvergenceRoundMonitor {SCFMonitor} | R Documentation |
Read and Plot the Counts the SCF Convergence Rounds of Each Optimization Step of a Gaussian Log File.
Description
This function reads a log file automatically and generate a plot showing the steps it takes to reach SCF convergence for each optimization process.
Arguments
directory |
A string vector describing the directory of the Gaussian log file. |
Value
No return value, called for side effects
Examples
library(ggplot2)
OptiSCFConvergenceRoundMonitor(SCFMonitorExample())
[Package SCFMonitor version 0.3.5 Index]