I like to use ‘kspace pppm/tip4p’ with a triclinic unit cell, but unfortunately I can’t, lammps gives this error: "KSpace style does not yet support triclinic geometries "
Does anybody know, how can I use this feature or is there any development version of lammps that support this feature?
I like to use 'kspace pppm/tip4p' with a triclinic unit cell, but
unfortunately I can't, lammps gives this error: "KSpace style does not yet
support triclinic geometries "
Does anybody know, how can I use this feature or is there any development
version of lammps that support this feature?
if you need to deform your cell, then you are out of luck.
otherwise, just convert your cell into an ortho-rhombic cell.