[lammps-users] bond_style morse

LAMMPS LAMMPS Mailing List Mirror
1

Dear Riwik,

Just expand the expression, and you will see that
it is in the form available in pair style morse:

http://lammps.sandia.gov/doc/pair_morse.html

Best,
Mario

Hi all,
Is there a way to use a morse (fleming ?) potential in the form D0 { [ { 1

  • exp(-k (rij-r0) )]**2} -1} in lammps
    Thanks
    Ritwik
2

Hi,

Thanks for ur reply. I want to use this D0 { [ { 1 - exp(-k (rij-r0) )]**2} -1} potential for water and hence wound need to constrain it with a fix shake. Thus a bond potential in the above form is required.

Ritwik

3

There is a bond_style morse as well as a pair_style morse. Although,
if you are constraining the bond via shake, I don't know why
you really care what the bond potential is.

Steve