Files in AliSajid/molecular_modeling_lab03
Utility functions to generate molecular modelling
.Rbuildignore
.Rprofile
.gitignore
DESCRIPTION
NAMESPACE
R/gto.R
R/load_basis_set.R
R/sto.R
R/sto_2g.R
R/sto_3g.R
R/sto_4g.R
R/sto_5g.R
R/sto_6g.R
data-raw/periodic_table.R
data/periodic_table.rda
man/gto_generator.Rd
man/load_basis_set.Rd
man/sto_2g_generator.Rd
man/sto_3g_generator.Rd
man/sto_4g_generator.Rd
man/sto_5g_generator.Rd
man/sto_6g_generator.Rd
man/sto_generator.Rd
molecular_modeling_lab03.Rproj
renv.lock
renv/.gitignore
renv/activate.R
renv/settings.dcf
vignettes/.gitignore
vignettes/dataset.csv
vignettes/figs/STO-2G-Figure.png
vignettes/figs/STO-3G-Figure.png
vignettes/figs/STO-4G-Figure.png
vignettes/figs/STO-5G-Figure.png
vignettes/figs/STO-6G-Figure.png
vignettes/figs/Simple-Figure.png
vignettes/lab_report_3.Rmd
