SCFMonitor - Clear Monitor and Graphing Software Processing Gaussian .log
File
Self-Consistent Field(SCF) calculation method is one of
the most important steps in the calculation methods of quantum
chemistry. Ehrenreich, H., & Cohen, M. H. (1959).
<doi:10.1103/PhysRev.115.786> However, the most prevailing
software in this area, 'Gaussian''s SCF convergence process is
hard to monitor, especially while the job is still running,
causing researchers difficulty in knowing whether the
oscillation has started or not, wasting time and energy on
useless configurations or abandoning the jobs that can actually
work. M.J. Frisch, G.W. Trucks, H.B. Schlegel et al. (2016).
<https://gaussian.com> 'SCFMonitor' enables 'Gaussian' quantum
chemistry calculation software users to easily read the
'Gaussian' .log files and monitor the SCF convergence and
geometry optimization process with little effort and clear,
beautiful, and clean outputs. It can generate graphs using
'tidyverse' to let users check SCF convergence and geometry
optimization processes in real-time. The software supports
processing .log files remotely using with rbase::url(). This
software is a suitcase for saving time and energy for the
researchers, supporting multiple versions of 'Gaussian'.