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Adjust tolerance of QS/regtest-gpw-2-3/hcn_meta_chaincoord.inp (#1470)
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Relative error of 1.08e-13 encountered on Linux psmp conda-forge build.
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ltalirz committed Apr 16, 2021
1 parent 913c70a commit 85ec19c
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2 changes: 1 addition & 1 deletion tests/QS/regtest-gpw-2-3/TEST_FILES
Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@ hcn_ts_fix_z.inp 65 1e-14
# chain of two coordination numbers
hcn_md.inp 1 6e-14 -16.50121471895406
hcn_meta_coord.inp 1 6e-14 -16.65113632013810
hcn_meta_chaincoord.inp 1 1e-13 -16.64019903493714
hcn_meta_chaincoord.inp 1 2e-13 -16.64019903493714
hcn_meta_chaincoord_kind.inp 1 2e-13 -16.64019903493714
# Population colvar
H2O_meta_pop.inp 1 5e-08 -17.155197480118499
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