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Fix thresholds (#2036)

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Frederick Stein 2022-03-29 13:59:33 +02:00 • committed by GitHub
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tests/QS/regtest-libxc/TEST_FILES
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@ -17,6 +17,6 @@ diamond_br89_libxc.inp 1 7e-14
# tpss new input
H2O-tpss_lsd.inp 1 3e-13 -34.34060245665712
# wb97X2 functional parametrizations
H2O-hybrid-wb97x2lp-libxc.inp 1 3e-9 -16.89949370057707
H2O-hybrid-wb97x2tqz-libxc.inp 1 3e-9 -16.91942374633053
H2O-hybrid-wb97x2lp-libxc.inp 1 3e-8 -16.89949370057707
H2O-hybrid-wb97x2tqz-libxc.inp 1 3e-8 -16.91942374633053
#EOF