From 784cdb7b9e41d3beb0c379e15b68a62a671a14ff Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Sun, 3 May 2020 23:35:53 +0200 Subject: [PATCH] Stabilize tests/QS/regtest-mp2-stress/H2O_stress_an.inp --- tests/QS/regtest-mp2-stress/H2O_stress_an.inp | 2 +- tests/QS/regtest-mp2-stress/TEST_FILES | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/tests/QS/regtest-mp2-stress/H2O_stress_an.inp b/tests/QS/regtest-mp2-stress/H2O_stress_an.inp index fc345679f1..41f7f310fc 100644 --- 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 index 71c0ee7f46..3abab1bf0c 100644 --- 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