MultipleRoundOptiSCFIntegratedMonitor {SCFMonitor} | R Documentation |
Read and Plot SCF Convergence Process for Multiple Round of Optimization
Description
This function reads a log file automatically and shows the SCF convergence process of it by generating line plots
Arguments
directory |
A string vector describing the directory of the Gaussian log file. |
top_rounds |
A numeric vector deciding which SCF convergence process will be shown in the diagram. etc. input 5 for the newest 5 rounds of optimization. Enter -1 for showing all the processes. |
Value
No return value, called for side effects
Examples
MultipleRoundOptiSCFIntegratedMonitor(SCFMonitorExample(), -1)
MultipleRoundOptiSCFIntegratedMonitor(SCFMonitorExample(), 5)
[Package SCFMonitor version 0.3.5 Index]