Adjust tolerance of C4H10-qmmm-gauss-0.inp

cp2k · Jan 8, 2019 · 14c7ca9 · 14c7ca9
1 parent 54d964c
commit 14c7ca9
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/tests/QMMM/QS/regtest-3/TEST_FILES b/tests/QMMM/QS/regtest-3/TEST_FILES
@@ -4,7 +4,7 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 # QM/MM links
-C4H10-qmmm-gauss-0.inp                                 1    1.0E-14            -27.995411661351529
+C4H10-qmmm-gauss-0.inp                                 1      2E-14            -27.995411661351529
 C4H10-qmmm-gauss-1.inp                                 1    1.0E-14             -27.99615935895865
 C4H10-qmmm-gauss-2.inp                                 7    1.0E-14            -14.564420375899999
 C4H10-qmmm-gauss-3.inp                                 1      6e-14            -16.286464662188639