Adjust tolerances

cp2k · Oct 5, 2020 · a682cb5 · a682cb5
1 parent 2d61604
commit a682cb5
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/tests/QS/regtest-gpw-2-3/TEST_FILES b/tests/QS/regtest-gpw-2-3/TEST_FILES
@@ -7,7 +7,7 @@ hcn_ts_fix_x.inp                                      63      1e-14
 hcn_ts_fix_y.inp                                      64      1e-14                  -0.0003000000
 hcn_ts_fix_z.inp                                      65      1e-14                   0.0000000000
 # chain of two coordination numbers
-hcn_md.inp                                             1      3e-14             -16.50121471895406
+hcn_md.inp                                             1      6e-14             -16.50121471895406
 hcn_meta_coord.inp                                     1      4e-14             -16.65113632013810
 hcn_meta_chaincoord.inp                                1      9e-14             -16.64019903493714
 hcn_meta_chaincoord_kind.inp                           1      1e-13             -16.64019903493714

diff --git a/tests/QS/regtest-gpw-4/TEST_FILES b/tests/QS/regtest-gpw-4/TEST_FILES
@@ -69,7 +69,7 @@ H-extpot.inp                                          11      1e-12
 H2O-analytic_vee.inp                                  11      3e-12            -17.165089831918642
 H2O-read_cube.inp                                     11      3e-12            -17.165069594404645
 # welltempered metadynamics
-2H2O_meta_welltemp.inp                                 1      5e-14             -34.16302155139748
+2H2O_meta_welltemp.inp                                 1      8e-14             -34.16302155139748
 ND3_meta_welltemp.inp                                  1      2e-14             -11.80921591725154
 # gapw + npt
 H2O-gapw.inp                                           1      3e-14            -17.138804316237351