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update compute pace example to follow usual conventions

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Axel Kohlmeyer
2023-12-05 06:15:40 -05:00
parent 73f1bac827
commit e5ae46a01a
5 changed files with 163 additions and 1 deletions
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examples/PACKAGES/pace/README.md
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@ -5,5 +5,5 @@
compute/latte_cell_0.data # lammps data file with C-H-O structure
compute/latte_cell_0.xyz # xyz file with C-H-O structure
compute/coupling_coefficients.yace # .yace file containing coupling coefficients (or ACE potential parameters)
compute/in.lammps # input file for calling `compute pace`
compute/in.compute # input file for calling `compute pace`