From 18b066c03462f3440893a06e7e2912a140a59e50 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 5 May 2021 12:11:27 -0400 Subject: [PATCH] seems we can use a tighter epsilon on the revised pair styles bop/polymorphic --- unittest/force-styles/tests/atomic-pair-polymorphic_eam.yaml | 2 +- unittest/force-styles/tests/manybody-pair-bop.yaml | 2 +- unittest/force-styles/tests/manybody-pair-bop_save.yaml | 2 +- unittest/force-styles/tests/manybody-pair-polymorphic_sw.yaml | 2 +- .../force-styles/tests/manybody-pair-polymorphic_tersoff.yaml | 2 +- 5 files changed, 5 insertions(+), 5 deletions(-) diff --git a/unittest/force-styles/tests/atomic-pair-polymorphic_eam.yaml b/unittest/force-styles/tests/atomic-pair-polymorphic_eam.yaml index 57f0812bca..f3ad72b9cd 100644 --- a/unittest/force-styles/tests/atomic-pair-polymorphic_eam.yaml +++ b/unittest/force-styles/tests/atomic-pair-polymorphic_eam.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:09:04 2021 -epsilon: 1e-12 +epsilon: 1e-14 prerequisites: ! | pair polymorphic pre_commands: ! | diff --git a/unittest/force-styles/tests/manybody-pair-bop.yaml b/unittest/force-styles/tests/manybody-pair-bop.yaml index c99e0db162..3855d2d263 100644 --- a/unittest/force-styles/tests/manybody-pair-bop.yaml +++ b/unittest/force-styles/tests/manybody-pair-bop.yaml @@ -1,7 +1,7 @@ --- lammps_version: 8 Apr 2021 date_generated: Wed May 5 11:50:15 2021 -epsilon: 1e-12 +epsilon: 1e-14 prerequisites: ! | pair bop pre_commands: ! | diff --git a/unittest/force-styles/tests/manybody-pair-bop_save.yaml b/unittest/force-styles/tests/manybody-pair-bop_save.yaml index 99f91822a4..5f13b370a4 100644 --- a/unittest/force-styles/tests/manybody-pair-bop_save.yaml +++ b/unittest/force-styles/tests/manybody-pair-bop_save.yaml @@ -1,7 +1,7 @@ --- lammps_version: 8 Apr 2021 date_generated: Wed May 5 11:50:24 2021 -epsilon: 1e-12 +epsilon: 1e-14 prerequisites: ! | pair bop pre_commands: ! | diff --git a/unittest/force-styles/tests/manybody-pair-polymorphic_sw.yaml b/unittest/force-styles/tests/manybody-pair-polymorphic_sw.yaml index c06d51d907..7d68718aae 100644 --- a/unittest/force-styles/tests/manybody-pair-polymorphic_sw.yaml +++ b/unittest/force-styles/tests/manybody-pair-polymorphic_sw.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:09:17 2021 -epsilon: 4e-12 +epsilon: 1e-14 prerequisites: ! | pair polymorphic pre_commands: ! | diff --git a/unittest/force-styles/tests/manybody-pair-polymorphic_tersoff.yaml b/unittest/force-styles/tests/manybody-pair-polymorphic_tersoff.yaml index b45c0e4295..735ed0eaf9 100644 --- a/unittest/force-styles/tests/manybody-pair-polymorphic_tersoff.yaml +++ b/unittest/force-styles/tests/manybody-pair-polymorphic_tersoff.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:09:17 2021 -epsilon: 1e-11 +epsilon: 1e-14 prerequisites: ! | pair polymorphic pre_commands: ! |