Dear LAMMPS users,
I have been using a quite new version of LAMMPS (downloaded November 18, 2009), and have used these commands to compute the displacement of atoms relative to their original positions:
fix startpos all coord/original # Saves the inital particle positions as reference
compute disp all displace/atom startpos # Computes the displacement of each atom relative to the initial position
After downloading and making LAMMPS today (December 30, 2009), my script does not work anymore, and I wonder why.
I can see from the documentation online that the "fix coord/original" command has changed name to "fix store/coord", and that the whole command should be obsolete as the "compute displace/atom" command now invokes its own "fix store/coord". This means that my two input lines above should be replaced by one line like this:
compute disp all displace/atom
But when I try to run the input file, I get a message "ERROR: Invalid fix style".
Can anyone help me solving this problem?
Christer H. Ersland.