Stabilize tests/QS/regtest-mp2-stress/H2O_stress_an.inp

cp2k · Jun 24, 2020 · 784cdb7 · 784cdb7
1 parent 8599b93
commit 784cdb7
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/tests/QS/regtest-mp2-stress/H2O_stress_an.inp b/tests/QS/regtest-mp2-stress/H2O_stress_an.inp
@@ -5,7 +5,7 @@
 &END GLOBAL
 &MOTION
   &CELL_OPT
-    MAX_ITER  1
+    MAX_ITER  0
   &END
 &END MOTION
 &FORCE_EVAL

diff --git a/tests/QS/regtest-mp2-stress/TEST_FILES b/tests/QS/regtest-mp2-stress/TEST_FILES
@@ -1,5 +1,5 @@
-H2O_stress_an.inp                                     31       2E-5                -6.50948035E+00
-H2O_stress_numdiag_mme.inp                            31      2e-04                 7.69446727E-02
+H2O_stress_an.inp                                     31       2E-5                -5.25545759E-01
+H2O_stress_numdiag_mme.inp                            31      2e-04                 7.69739704E-02
 H2_stress_num.inp                                     31      2e-04                -3.92969741E+00
 H2_stress_num_mme.inp                                 31      1e-06                -1.10026734E+00
 CH3_stress_an.inp                                     31      3e-04                 1.66383004E+01