R package citation, R package reverse dependencies, R package scholars, install an r package from GitHub hy is package acceptance pending why is package undeliverable amazon why is package on hold dhl tour packages why in r package r and r package full form why is r free why r is bad which r package to install which r package has which r package which r package version which r package readxl which r package ggplot which r package fread which r package license where is package.json where is package-lock.json where is package.swift where is package explorer in eclipse where is package where is package manager unity where is package installer android where is package manager console in visual studio who r package which r package to install which r package version who is package who is package deal who is package design r and r package full form r and r package meaning what r package has what package r what is package in java what is package what is package-lock.json what is package in python what is package.json what is package installer do r package can't install r packages r can't find package r can't load package can't load xlsx package r can't install psych package r can't install sf package r Write if else in NONMEM pk pd
SCFMonitor
View on CRAN: Click
here
Download and install SCFMonitor package within the R console
Install from CRAN:
install.packages("SCFMonitor")
Install from Github:
library("remotes")
install_github("cran/SCFMonitor")
Install by package version:
library("remotes")
install_version("SCFMonitor", "0.3.5")
Attach the package and use:
library("SCFMonitor")
Maintained by
Pengjun Guo
[Scholar Profile | Author Map]
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2024-09-18
Latest Update: 2024-09-18
Description:
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'.
How to cite:
Pengjun Guo (2024). SCFMonitor: Clear Monitor and Graphing Software Processing Gaussian .log File. R package version 0.3.5, https://cran.r-project.org/web/packages/SCFMonitor. Accessed 23 Nov. 2024.
Previous versions and publish date:
No previous versions
Other packages that cited SCFMonitor R package
View SCFMonitor citation profile
Other R packages that SCFMonitor depends,
imports, suggests or enhances
Complete documentation for SCFMonitor
Functions, R codes and Examples using
the SCFMonitor R package
Full SCFMonitor package
functions and examples
Downloads during the last 30 days
Get rewarded with contribution points by
helping add
Reviews / comments / questions /suggestions ↴↴↴
Today's Hot Picks in Authors and Packages
Simile
Allows a Simile model saved as a compiled binary to be loaded, parameterized, executed and interroga ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Jasper Taylor (view profile)
Mondrian
The unique function of this package allows representing in a single graph the relative occurrence an ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Aurélie Siberchicot (view profile)
RH2
DBI/RJDBC interface to h2 database. h2 version 1.3.175 is included. ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: "David M. Kaplan" (view profile)
highlight
Syntax highlighter for R code based on the results of the R
parser. Rendering in HTML and latex mar ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Hadley Wickham (view profile)
triplot
Tools for exploring effects of correlated features in predictive models. The predict_triplot() func ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Katarzyna Pekala (view profile)
abcADM
Estimate parameters of accumulated damage load duration models based on failure time data under a Ba ...
Download / Learn more Package Citations See dependency
Download / Learn more Package Citations See dependency
Maintainer: Samuel W.K. Wong (view profile)