Loading unittest/force-styles/tests/manybody-pair-nb3b_harmonic.yaml +110 −107 Original line number Diff line number Diff line --- lammps_version: 5 May 2020 date_generated: Wed May 27 06:42:57 202 epsilon: 1.0e-12 lammps_version: 15 Jun 2020 date_generated: Mon Jun 29 13:21:51 202 epsilon: 1e-12 prerequisites: ! | pair nb3b/harmonic pre_commands: ! | variable newton_pair delete variable newton_pair index on variable units delete variable units index real post_commands: ! | change_box all x final 0 4.2 y final 0 4.2 z final 0 4.2 velocity all scale 100.0 input_file: in.manybody pair_style: nb3b/harmonic pair_coeff: ! | Loading @@ -18,139 +21,139 @@ natoms: 64 init_vdwl: 2654.82155652424 init_coul: 0 init_stress: ! |- -5.1017158429026651e+01 -1.3611903256981696e+01 6.4629061686009067e+01 -8.7135857294938191e+01 -1.1070515375917164e+02 7.5452837495497633e+01 -5.1017158429026708e+01 -1.3611903256981552e+01 6.4629061686009067e+01 -8.7135857294937580e+01 -1.1070515375917185e+02 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unittest/force-styles/tests/manybody-pair-nb3b_harmonic.yaml +110 −107 Original line number Diff line number Diff line --- lammps_version: 5 May 2020 date_generated: Wed May 27 06:42:57 202 epsilon: 1.0e-12 lammps_version: 15 Jun 2020 date_generated: Mon Jun 29 13:21:51 202 epsilon: 1e-12 prerequisites: ! | pair nb3b/harmonic pre_commands: ! | variable newton_pair delete variable newton_pair index on variable units delete variable units index real post_commands: ! | change_box all x final 0 4.2 y final 0 4.2 z final 0 4.2 velocity all scale 100.0 input_file: in.manybody pair_style: nb3b/harmonic pair_coeff: ! | Loading @@ -18,139 +21,139 @@ natoms: 64 init_vdwl: 2654.82155652424 init_coul: 0 init_stress: ! |- -5.1017158429026651e+01 -1.3611903256981696e+01 6.4629061686009067e+01 -8.7135857294938191e+01 -1.1070515375917164e+02 7.5452837495497633e+01 -5.1017158429026708e+01 -1.3611903256981552e+01 6.4629061686009067e+01 -8.7135857294937580e+01 -1.1070515375917185e+02 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unittest/formats/test_potential_file_reader.cpp +1 −1 Original line number Diff line number Diff line Loading @@ -189,7 +189,7 @@ TEST_F(PotentialFileReaderTest, GWZBL) TEST_F(PotentialFileReaderTest, Nb3bHarmonic) { if (!verbose) ::testing::internal::CaptureStdout(); lmp->input->one("units metal"); lmp->input->one("units real"); PotentialFileReader reader(lmp, "MOH.nb3b.harmonic", "NB3B Harmonic"); if (!verbose) ::testing::internal::GetCapturedStdout(); Loading
