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Adjust tolerance of H2O-hfx-ls-rtp-bch.inp and H2O_t1.inp
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oschuett committed Dec 16, 2018
1 parent 882d660 commit 15967f6
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Showing 2 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion tests/QS/regtest-hfx/TEST_FILES
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ H2O-hfx-emd-ngs.inp 2 1.0E-14 -
H2O-hfx-atprop.inp 1 8e-14 -16.955115129211752
H2O-hfx-ls-emd.inp 2 1.0E-14 -0.168398027926E+02
H2O-hfx-ls-rtp.inp 1 1e-13 -16.83980778496522
H2O-hfx-ls-rtp-bch.inp 1 6e-14 -16.83980778496523
H2O-hfx-ls-rtp-bch.inp 1 1e-13 -16.83980778496523
H2O-hfx-ls-emd-bch.inp 2 1.0E-14 -0.168398023991E+02
H2O-hfx-ls-emd-ngs.inp 2 1.0E-14 -0.167496522883E+02
#EOF
2 changes: 1 addition & 1 deletion tests/QS/regtest-sto/TEST_FILES
Original file line number Diff line number Diff line change
Expand Up @@ -4,5 +4,5 @@
# 1 compares the last total energy in the file
# for details see cp2k/tools/do_regtest
# tests GAPW STO
H2O_t1.inp 1 4e-13 -75.659689099442119
H2O_t1.inp 1 8e-13 -75.659689099442119
#EOF

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