Reset reference values because of updated vdW radii

cp2k · Mar 1, 2021 · ff6da53 · ff6da53
1 parent bf480f7
commit ff6da53
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Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/tests/QMMM/QS/regtest-4/TEST_FILES b/tests/QMMM/QS/regtest-4/TEST_FILES
@@ -12,6 +12,6 @@ crys_per_qmmm_none.inp                                 1      7e-12          -0.
 # check zero of the potential for charged QM systems
 acn-qmmm-re.inp                                        1      1e-12         -14.78512402427952
 # check a qm/mm nasty topology
-acn-conn-1.inp                                         1      4e-09        -291.98859134043812
+acn-conn-1.inp                                         1      4e-09        -291.88277947852032
 wat_nacl.inp                                          11      2e-13        -16.691503876246994
 #EOF
diff --git a/tests/QS/regtest-gpw-2-1/TEST_FILES b/tests/QS/regtest-gpw-2-1/TEST_FILES
@@ -11,7 +11,7 @@ H2O-2.inp                                              1      3e-14
 H2O-3.inp                                              1      4e-14             -17.14553123442895
 H2O-4.inp                                              1      3e-14             -17.14677584577026
 # core ham bug
-ZrO.inp                                                1      5e-14             -62.20520122490129
+ZrO.inp                                                1      5e-14             -62.20561057734427
 # new xc routines
 Ar-12.inp                                              1      3e-13            -21.042519995759061
 Ar-13.inp                                              1      8e-13             -21.12624107439710

diff --git a/tests/QS/regtest-gpw-8/TEST_FILES b/tests/QS/regtest-gpw-8/TEST_FILES
@@ -1,5 +1,5 @@
 # bugs in berry phase dipole
-bug_ai_moments.inp                                    39    1.0E-14                     0.28412117
+bug_ai_moments.inp                                    39    1.0E-14                     0.28391764
 #
 si8_broy_stm.inp                                       1      2e-13             -30.92831595126399
 si8_broy_wc.inp                                       23      2e-06             1902.3469570831001