LAMMPS doesn't read *.yace format
siamak-attarian opened this issue · comments
siamak-attarian commented
Hi,
Looks like lammps doesn't understand the YACE format. I'm getting the following error:
what(): File 'output_potential.yace': couldn't read 'nelements'. Expected format: 'nelements=[number]'
This is how the header of my potential.yace file looks like:
elements: [Be, F, Li]
E0: [0, 0, 0]
deltaSplineBins: 0.001
yury-lysogorskiy commented
You should use recent version (after Oct 2021) of LAMMPS