transform_mol

transform_mol(mol, R, T)

Arguments

mol

R

T

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 (mol, R, T) { xyz <- mol2xyz(mol) xyz1 <- transform_xyz(xyz, R, T) xyz2mol(mol, xyz1) }
#> function (mol, R, T) #> { #> xyz <- mol2xyz(mol) #> xyz1 <- transform_xyz(xyz, R, T) #> xyz2mol(mol, xyz1) #> } #> <environment: 0x10a2e7fc8>