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make README consistent with potential file and implementation

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Axel Kohlmeyer
2023-10-31 09:34:32 -04:00
parent 6056941688
commit 41fb0a5700
1 changed files with 4 additions and 4 deletions
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8
examples/nb3b/README.nb3b.screened
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@ -27,11 +27,11 @@ parameters for Si permutations appear but they are not employed in
the current case. the current case.
# i j k K theta0 rho cutoff # i j k K theta0 rho cutoff
O P P 65.0 109.47 1.0 3.3 O P P 32.5 109.47 1.0 3.3
O P Si 120.0 109.47 1.0 0.000 O P Si 60.0 109.47 1.0 0.000
O P O 0.000 0.000 1.0 0.000 O P O 0.000 0.000 1.0 0.000
O Si P 120.0 109.47 1.0 0.000 O Si P 60.0 109.47 1.0 0.000
O Si Si 25.0 109.47 1.0 3.3 O Si Si 12.5 109.47 1.0 3.3
(...) (...)
The rho value must be always higher than 0.0. Cutoff and rho are extracted The rho value must be always higher than 0.0. Cutoff and rho are extracted