From 448bccd1380f8007db3da893a712105a69dd1b52 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 7 Jun 2020 22:20:46 -0400 Subject: [PATCH] tweak test epsilons so they pass with -DLAMMPS_BIGBIG --- unittest/force-styles/tests/bond-gromos.yaml | 2 +- unittest/force-styles/tests/bond-nonlinear.yaml | 2 +- unittest/force-styles/tests/mol-pair-coul_cut.yaml | 2 +- unittest/force-styles/tests/mol-pair-coul_dsf.yaml | 2 +- unittest/force-styles/tests/mol-pair-coul_wolf.yaml | 2 +- .../tests/mol-pair-lj_charmm_coul_charmm_implicit.yaml | 2 +- 6 files changed, 6 insertions(+), 6 deletions(-) diff --git a/unittest/force-styles/tests/bond-gromos.yaml b/unittest/force-styles/tests/bond-gromos.yaml index a9f5dba6b4..112fcb9748 100644 --- a/unittest/force-styles/tests/bond-gromos.yaml +++ b/unittest/force-styles/tests/bond-gromos.yaml @@ -1,7 +1,7 @@ --- lammps_version: 5 May 2020 date_generated: Sat May 30 17:49:16 202 -epsilon: 2.5e-13 +epsilon: 5e-13 prerequisites: ! | atom full bond gromos diff --git a/unittest/force-styles/tests/bond-nonlinear.yaml b/unittest/force-styles/tests/bond-nonlinear.yaml index a8b6c20151..0d4935d0bb 100644 --- a/unittest/force-styles/tests/bond-nonlinear.yaml +++ b/unittest/force-styles/tests/bond-nonlinear.yaml @@ -1,7 +1,7 @@ --- lammps_version: 5 May 2020 date_generated: Sat May 30 17:49:16 202 -epsilon: 2.5e-13 +epsilon: 5e-13 prerequisites: ! | atom full bond nonlinear diff --git a/unittest/force-styles/tests/mol-pair-coul_cut.yaml b/unittest/force-styles/tests/mol-pair-coul_cut.yaml index 43d9dfe67e..bbae7a8456 100644 --- a/unittest/force-styles/tests/mol-pair-coul_cut.yaml +++ b/unittest/force-styles/tests/mol-pair-coul_cut.yaml @@ -1,7 +1,7 @@ --- lammps_version: 5 May 2020 date_generated: Sun May 31 08:39:49 202 -epsilon: 5e-14 +epsilon: 1e-13 prerequisites: ! | atom full pair coul/cut diff --git a/unittest/force-styles/tests/mol-pair-coul_dsf.yaml b/unittest/force-styles/tests/mol-pair-coul_dsf.yaml index e4f9983aae..98f2a64d3c 100644 --- a/unittest/force-styles/tests/mol-pair-coul_dsf.yaml +++ b/unittest/force-styles/tests/mol-pair-coul_dsf.yaml @@ -1,7 +1,7 @@ --- lammps_version: 5 May 2020 date_generated: Sun May 31 08:50:20 202 -epsilon: 1e-13 +epsilon: 2e-13 prerequisites: ! | atom full pair coul/dsf diff --git a/unittest/force-styles/tests/mol-pair-coul_wolf.yaml b/unittest/force-styles/tests/mol-pair-coul_wolf.yaml index 4da58e6ea6..bc8c243e44 100644 --- a/unittest/force-styles/tests/mol-pair-coul_wolf.yaml +++ b/unittest/force-styles/tests/mol-pair-coul_wolf.yaml @@ -1,7 +1,7 @@ --- lammps_version: 5 May 2020 date_generated: Sun May 31 09:23:33 202 -epsilon: 1e-13 +epsilon: 5e-13 prerequisites: ! | atom full pair coul/wolf diff --git a/unittest/force-styles/tests/mol-pair-lj_charmm_coul_charmm_implicit.yaml b/unittest/force-styles/tests/mol-pair-lj_charmm_coul_charmm_implicit.yaml index 1a1db6784e..2b20a41890 100644 --- a/unittest/force-styles/tests/mol-pair-lj_charmm_coul_charmm_implicit.yaml +++ b/unittest/force-styles/tests/mol-pair-lj_charmm_coul_charmm_implicit.yaml @@ -1,7 +1,7 @@ --- lammps_version: 5 May 2020 date_generated: Sun May 31 07:05:48 202 -epsilon: 5e-14 +epsilon: 2e-13 prerequisites: ! | atom full pair lj/charmm/coul/charmm/implicit