lattice origin

Dear lammps developers,

I have this line in my input script:
lattice fcc 4.05 origin 0 0 0.247 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1

the error message about this line is “Expected integer parameter in input script or data file(…/lattice.cpp:165)”, and is the decimal “0.247” incorrect?

Thanks a lot for your help.

Michelle

Yes, those vector components must be integers.

Ray

But I find in the lammps manual that x,y,z values are fractional values (0.0<=x,y,z<1.0) meaning shift the lattice by a fraction of the lattice spacing in each dimension, and this is the screenshot:

I am still confused.

Thank you very much!

13B28C4F@...5833....png

Dear lammps developers,

I have this line in my input script:
lattice fcc 4.05 origin 0 0 0.247 orient x 1 0 0 orient y 0 1 0
orient z 0 0 1

the error message about this line is "Expected integer parameter in input
script or data file(../lattice.cpp:165)", and is the decimal "0.247"
incorrect?

i don't get an error message, when i run this line on a latest version
of LAMMPS.

[[email protected] src]$ ./lmp_mpi
LAMMPS (6 Nov 2015-ICMS)

lattice fcc 4.05 origin 0 0 0.247 orient x 1 0 0 orient y 0
1 0 orient z 0 0 1
Lattice spacing in x,y,z = 0.995868 0.995868 0.995868

axel.

From the screenshot, it appears there is an ampersand causing havoc in

the offending line, which precipitates the expected response e.g.

[[email protected] src]$ more log.lammps
LAMMPS (31 Oct 2015)
lattice fcc 4.05 origin 0 0 0.247 orient x 1 0 0 orient y 0
1 0 orient z &0 0 1
ERROR: Expected integer parameter in input script or data file
(../lattice.cpp:165)

Yeah, it’s the ampersand that has caused havoc. I should have been more careful.
Thanks a lot.

Michelle