read_g09output: extract the summary area from gaussian09 log file

In kyusque/g09R: Gaussian09 log parser

Description

extract the summary area from gaussian09 log file

Usage

read_g09output(file)

Arguments

file

file path

Value

summary list

Examples

library(dplyr)
dir(".") %>%
 grep(".out", ., value = TRUE) %>%
  lapply(
    function(x){
      res <- read_g09output(x)
      tryCatch(
        c(res$Title ,res$Summary$`CCSD(T)`),
        error = function(e) NA
      )
    }
  )

kyusque/g09R documentation built on May 20, 2019, 10:21 p.m.