diff --git a/unittest/force-styles/tests/fix-timestep-wall-harmonic_const.yaml b/unittest/force-styles/tests/fix-timestep-wall-harmonic_const.yaml new file mode 100644 index 0000000000..261ccc7b0c --- /dev/null +++ b/unittest/force-styles/tests/fix-timestep-wall-harmonic_const.yaml @@ -0,0 +1,78 @@ +--- +lammps_version: 21 Jul 2020 +date_generated: Sun Aug 9 07:21:00 202 +epsilon: 1e-14 +prerequisites: ! | + atom full + fix wall/harmonic +pre_commands: ! | + boundary p f p +post_commands: ! | + fix move all nve + fix test solute wall/harmonic ylo EDGE 100.0 0.0 5.0 yhi EDGE 100.0 0.0 5.0 +input_file: in.fourmol +natoms: 29 +global_scalar: 42.6997744353244 +global_vector: ! |- + 2 0.0 161.92409617466126 +run_pos: ! |2 + 1 -2.7051715090682593e-01 2.4891718422041942e+00 -1.6687343912524535e-01 + 2 3.1037661579862175e-01 2.9347166386691113e+00 -8.5496435221221156e-01 + 3 -7.0402515865264603e-01 1.2304739304383521e+00 -6.2777422080240730e-01 + 4 -1.5818156002522876e+00 1.4837443919066966e+00 -1.2538703954644463e+00 + 5 -9.0719963033698159e-01 9.2651871779341399e-01 3.9954137559444142e-01 + 6 2.4831695467823400e-01 2.8312974957866005e-01 -1.2314232372542311e+00 + 7 3.4143527599853957e-01 -2.2646552136496162e-02 -2.5292291409504188e+00 + 8 1.1743552256787158e+00 -4.8863229191571117e-01 -6.3783432834416876e-01 + 9 1.3800524227031346e+00 -2.5274721005121037e-01 2.8353985882456578e-01 + 10 2.0510765220197009e+00 -1.4604063740411815e+00 -9.8323745080488900e-01 + 11 1.7878031944407509e+00 -1.9921863272886073e+00 -1.8890602447598965e+00 + 12 3.0063007038317027e+00 -4.9013350489718083e-01 -1.6231898106978369e+00 + 13 4.0515402959160571e+00 -8.9202011606485654e-01 -1.6400005529914481e+00 + 14 2.6066963345462244e+00 -4.1789253964874301e-01 -2.6634003608727506e+00 + 15 2.9695287185264685e+00 5.5422613167055734e-01 -1.2342022021669503e+00 + 16 2.6747029695037297e+00 -2.4124119054292041e+00 -2.3435746152831474e-02 + 17 2.2153577785010934e+00 -2.0897985186506944e+00 1.1963150794337314e+00 + 18 2.1369701704267587e+00 3.0158507413153752e+00 -3.5179348337454122e+00 + 19 1.5355837136075348e+00 2.6255292355297897e+00 -4.2353987779858038e+00 + 20 2.7727573003201997e+00 3.6923910440705336e+00 -3.9330842459619779e+00 + 21 4.9040128073837339e+00 -4.0752348170758461e+00 -3.6210314709795299e+00 + 22 4.3582355554510048e+00 -4.2126119427061379e+00 -4.4612844196307497e+00 + 23 5.7439382849366911e+00 -3.5821957939240279e+00 -3.8766361295959513e+00 + 24 2.0689243582618388e+00 3.1513346906720905e+00 3.1550389755134005e+00 + 25 1.3045351331892774e+00 3.2665125705550957e+00 2.5111855258151388e+00 + 26 2.5809237402747862e+00 4.0117602605470681e+00 3.2212060529139430e+00 + 27 -1.9611343130344261e+00 -4.3563411931314180e+00 2.1098293115505782e+00 + 28 -2.7473562684511403e+00 -4.0200819932374339e+00 1.5830052163432258e+00 + 29 -1.3126000191357743e+00 -3.5962518039473323e+00 2.2746342468733483e+00 +run_vel: ! 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