I am trying to calculate vacf but give one ERROR: Invalid compute style (modify.cpp:793)… I have written this way:
compute 2 all vacf
fix 3 all ave/time 1 10 100 c_2 c_2 c_2 c_2 file vacf.dat
Is it correct way or wrong?
What version of LAMMPS are you using?
2013 what month? Check this update page and see if your version has compute vacf implemented. http://lammps.sandia.gov/bug2013.html
I have seen that is given “compute_vacf.cpp” but still error is giving
There are many instructions on the doc page related to this. Type “lmp_foo -h” and see if you have vacf listed under the compute section. If yes, check if you have used the correct executable. Or simply update your LAMMPS version.
Ok that i will check. one more thing today i update lmp_linux, after that i run script file that one more error is showing.
1 LAMMPS (26 Jan20 2014)
2 ERROR: Illegal lattice command (…/lattice.cpp:55)
i am using : lattice none can you help me why it is showing? previous time script file is running fine. first i deleted lmp_linux than i make linux. i copy to that directory.
As the lattice doc page explains, the syntax is lattice none scale.
Did you specify the scale, e.g. 1.0 ?