print.nebpath.Rd
`print.nebpath` prints the list minima for Nudged Elastic Band
# S3 method for nebpath
print(x, ...)
nebpath object
further arguments passed to or from other methods.
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