From bb39bbc44b1087cd07ba8ef61b6e89f0d2f5992f Mon Sep 17 00:00:00 2001 From: Juerg Hutter Date: Thu, 23 Jan 2025 11:03:19 +0100 Subject: [PATCH] Regtest stabilized (#3885) --- tests/xTB/regtest-gfn0/ch2o_eper.inp | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/tests/xTB/regtest-gfn0/ch2o_eper.inp b/tests/xTB/regtest-gfn0/ch2o_eper.inp index 23f3215cca..144e2c9c91 100644 --- a/tests/xTB/regtest-gfn0/ch2o_eper.inp +++ b/tests/xTB/regtest-gfn0/ch2o_eper.inp @@ -7,7 +7,9 @@ &DEBUG DEBUG_FORCES T DEBUG_STRESS_TENSOR F - DX 0.0001 + DX 0.001 + EPS_NO_ERROR_CHECK 1.E-4 + MAX_RELATIVE_ERROR 0.30 STOP_ON_MISMATCH T &END DEBUG @@ -35,7 +37,7 @@ &END DFT &SUBSYS &CELL - ABC 5.0 5.0 5.0 + ABC 6.0 6.0 6.0 &END CELL &COORD O 0.051368 0.000000 0.000000