`print.nebpath` prints the list minima for Nudged Elastic Band

# S3 method for nebpath
print(x, ...)

Arguments

x

nebpath object

...

further arguments passed to or from other methods.

Examples

tfes<-fes(acealanme, imax=5000)
minima<-fesminima(tfes)
nebAD<-neb(minima, min1="A", min2="D", nsteps=20)
nebAD
#> path between minima:
#>   letter CV1bin CV2bin       CV1      CV2 free_energy
#> 1      A     79    235 -1.219677 2.624154   -58.22765
#>   letter CV1bin CV2bin       CV1       CV2 free_energy
#> 4      D    166    153 0.9239978 0.6036786   -54.17444