diff --git a/unittest/force-styles/tests/mol-pair-lennard_mdf.yaml b/unittest/force-styles/tests/mol-pair-lennard_mdf.yaml new file mode 100644 index 0000000000..b75780b0dd --- /dev/null +++ b/unittest/force-styles/tests/mol-pair-lennard_mdf.yaml @@ -0,0 +1,98 @@ +--- +lammps_version: 21 Jul 2020 +date_generated: Wed Jul 29 16:33:03 202 +epsilon: 1e-12 +prerequisites: ! | + atom full + pair lennard/mdf +pre_commands: ! "" +post_commands: ! "" +input_file: in.fourmol +pair_style: lennard/mdf 6.5 8.0 +pair_coeff: ! | + 1 1 4768.37158203125 19.53125 + 1 2 33.0002002739906 1.148916015625 + 1 3 5.189853515625 0.455625 + 1 4 22973.5604278016 42.87055906125 + 1 5 16088.5533432005 33.3863396081125 + 2 2 0.02 0.02 + 2 3 0.000633527040481567 0.0035595703125 + 2 4 294.233100455466 3.43064484 + 2 5 190.825740216415 2.57106933958137 + 3 3 4.8828125e-06 0.0003125 + 3 4 64.2866406820316 1.603579005625 + 3 5 40.0738145684046 1.17821800092827 + 4 4 92233.7203685478 85.89934592 + 4 5 66122.1953250058 67.6836765582081 + 5 5 47259.767027313 53.25022086 +extract: ! 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