Generate atom lists

gen_atomlists(mdb, field, field_family)

Arguments

mdb

field

field_family

Details

Value

References

Note

See also

Examples

##---- Should be DIRECTLY executable !! ---- ##-- ==> Define data, use random, ##-- or do help(data=index) for the standard data sets. ## The function is currently defined as function (mdb, field, field_family) { atomlists <- list() if (field_family == "PHCH") { atomlists <- gen_atomlists_phch(mdb, field) } else if (field_family == "IND") { atomlists <- gen_atomlists_ind(mdb, field) } else if (field_family == "MOPAC") { atomlists <- gen_atomlists_mopac(mdb, field) } atomlists }
#> function (mdb, field, field_family) #> { #> atomlists <- list() #> if (field_family == "PHCH") { #> atomlists <- gen_atomlists_phch(mdb, field) #> } #> else if (field_family == "IND") { #> atomlists <- gen_atomlists_ind(mdb, field) #> } #> else if (field_family == "MOPAC") { #> atomlists <- gen_atomlists_mopac(mdb, field) #> } #> atomlists #> } #> <environment: 0x10e9c2740>