From b5b66d0e78fcb290f44c53e0f45f42e344b6208a Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 27 May 2020 08:50:20 -0400 Subject: [PATCH] tweak bop test to run faster --- .../force-styles/tests/manybody-pair-bop.yaml | 273 +++++++++--------- 1 file changed, 137 insertions(+), 136 deletions(-) diff --git a/unittest/force-styles/tests/manybody-pair-bop.yaml b/unittest/force-styles/tests/manybody-pair-bop.yaml index abc3b20af6..83049fdf1e 100644 --- a/unittest/force-styles/tests/manybody-pair-bop.yaml +++ b/unittest/force-styles/tests/manybody-pair-bop.yaml @@ -1,6 +1,6 @@ --- lammps_version: 5 May 2020 -date_generated: Tue May 26 18:29:52 202 +date_generated: Wed May 27 08:47:16 202 epsilon: 1.0e-12 prerequisites: ! | pair bop @@ -8,149 +8,150 @@ pre_commands: ! | variable newton_pair delete variable newton_pair index on comm_modify cutoff 14.0 -post_commands: ! "" +post_commands: ! | + change_box all x final 0 14 y final 0 14 z final 0 14 input_file: in.manybody pair_style: bop pair_coeff: ! | * * CdTeSe.bop.table Cd Cd Cd Cd Te Te Te Te extract: ! 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