From 0021042dab6626b855701fc22a7f08fc267986df Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 9 Apr 2024 00:57:26 -0400 Subject: [PATCH] add test --- .../tests/atomic-pair-pedone.yaml | 108 ++++++++++++++++++ 1 file changed, 108 insertions(+) create mode 100644 unittest/force-styles/tests/atomic-pair-pedone.yaml diff --git a/unittest/force-styles/tests/atomic-pair-pedone.yaml b/unittest/force-styles/tests/atomic-pair-pedone.yaml new file mode 100644 index 0000000000..bde9c0657d --- /dev/null +++ b/unittest/force-styles/tests/atomic-pair-pedone.yaml @@ -0,0 +1,108 @@ +--- +lammps_version: 7 Feb 2024 +tags: generated +date_generated: Tue Apr 9 00:55:35 2024 +epsilon: 7.5e-13 +skip_tests: +prerequisites: ! | + pair pedone + pair coul/dsf +pre_commands: ! | + echo screen + atom_modify map array + units metal + atom_style charge + lattice fcc 4.01 + region box block 0 2 0 2 0 2 + create_box 2 box + create_atoms 1 box + displace_atoms all random 0.1 0.1 0.1 623426 + mass 1 40.0 + mass 2 16.0 + set type 1 type/fraction 2 0.5 998877 + set type 1 charge 1.2 + set type 2 charge -1.2 + velocity all create 100 4534624 loop geom +post_commands: ! "" +input_file: in.empty +pair_style: hybrid/overlay pedone 8.0 coul/dsf 0.05 8.0 +pair_coeff: ! | + * * coul/dsf + 1 2 pedone 0.030211 2.241334 2.923245 5.0 +extract: ! 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