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Adjust tolerances after Merlin update from RHEL7 to RHEL8

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This commit is contained in:
Matthias Krack 2025-05-01 13:53:03 +02:00
parent ff5662e350
commit 04883b5780
1 changed files with 3 additions and 3 deletions
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6
tests/QS/regtest-hfx/TEST_FILES.toml
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@ -9,9 +9,9 @@
"H2O_pw.inp" = [{matcher="M022", tol=1.0E-14, ref=-3.7909363318}]
"H2O_pw_a.inp" = [{matcher="M022", tol=1.0E-14, ref=-3.8596077254}]
"H2O_pw_b.inp" = [{matcher="M022", tol=1.0E-14, ref=-1.9225142273}]
"4H2O-disk.inp" = [{matcher="E_total", tol=3e-13, ref=-303.0074785907947}]
"4H2O-mix-disk-ram.inp" = [{matcher="E_total", tol=3e-13, ref=-303.0074785907935}]
"4H2O-mix-disk-ram-on-the-fly.inp" = [{matcher="E_total", tol=3e-13, ref=-303.00747859079473}]
"4H2O-disk.inp" = [{matcher="E_total", tol=5e-13, ref=-303.0074785907947}]
"4H2O-mix-disk-ram.inp" = [{matcher="E_total", tol=5e-13, ref=-303.0074785907935}]
"4H2O-mix-disk-ram-on-the-fly.inp" = [{matcher="E_total", tol=5e-13, ref=-303.00747859079473}]
"H2-hfx-rtp.inp" = [{matcher="E_total", tol=3e-13, ref=-0.76693532081765}]
"H2-hfx-emd.inp" = [{matcher="M002", tol=1.0E-14, ref=-0.766935659110E+00}]
"H2O-hfx-emd.inp" = [{matcher="M002", tol=1E-11, ref=-16.875928042}]