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LAMMPS doesn't read *.yace format

siamak-attarian opened this issue · comments

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

You should use recent version (after Oct 2021) of LAMMPS