Adjust thresholds of H2O-qmmm-gauss-6.inp and H2O-langevin-1.inp

cp2k · Dec 19, 2020 · cb8608c · cb8608c
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diff --git a/tests/QMMM/QS/regtest-1/TEST_FILES b/tests/QMMM/QS/regtest-1/TEST_FILES
@@ -10,7 +10,7 @@ H2O-qmmm-gauss-2.inp                                   1      2e-13
 H2O-qmmm-gauss-3.inp                                   1      3e-13             -16.83342020737120
 H2O-qmmm-gauss-4.inp                                   7    1.0E-14                 -16.8201504947
 H2O-qmmm-gauss-5.inp                                   1      2e-13             -16.86188849951898
-H2O-qmmm-gauss-6.inp                                   1      2e-13             -16.78375982393304
+H2O-qmmm-gauss-6.inp                                   1      3e-13             -16.78375982393304
 H2O-qmmm-gauss-7.inp                                   1      2e-13             -16.89896479548539
 H2O-qmmm-gauss-8.inp                                   1      2e-13             -16.87501328403041
 H2O-qmmm-gauss-9.inp                                   1      2e-13             -16.69361998788292

diff --git a/tests/QS/regtest-gpw-3/TEST_FILES b/tests/QS/regtest-gpw-3/TEST_FILES
@@ -27,7 +27,7 @@ rsgrid-dist-1.inp                                      1      3e-11
 3H2O_bsse_multi_LIST.inp                               5    1.0E-14                      -1.271011
 OH-H2O-bsse.inp                                        5    1.0E-14                      -0.112213
 # Langevin dynamics
-H2O-langevin-1.inp                                     1    1.0E-14             -17.14549194468292
+H2O-langevin-1.inp                                     1      2e-14             -17.14549194468292
 H2O-langevin-2.inp                                     1    1.0E-14             -17.14566019286764
 #Ref grid
 H2O-ref-1.inp                                          1      2e-14             -17.14023455320299