10 lines
413 B
Markdown
10 lines
413 B
Markdown
# This folder contains examples for pace in LAMMPS
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## Compute pace usage
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compute/latte_cell_0.data # lammps data file with C-H-O structure
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compute/latte_cell_0.xyz # xyz file with C-H-O structure
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compute/coupling_coefficients.yace # .yace file containing coupling coefficients (or ACE potential parameters)
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compute/in.compute # input file for calling `compute pace`
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