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c7270bbdb5
Co-authored-by: DCM-Uni-Paderborn <DCM-Uni-Paderborn@users.noreply.github.com> Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>
4 lines
304 B
TOML
4 lines
304 B
TOML
"H2O-6.inp" = [{matcher="E_total", tol=2e-14, ref=-17.14603641519601}]
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"Si8-generalized.inp" = [{matcher="E_total", tol=1e-11, ref=-31.187602969867214}]
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"Si8-generalized-complex.inp" = [{matcher="E_total", tol=1e-10, ref=-31.461089087225638}]
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#EOF
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