ICODE-ADC/lammps
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alphataubio
2024-06-04 21:26:58 -04:00
parent 4f128fae81
commit 42a3c754ec
1 changed files with 2 additions and 0 deletions
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2
unittest/force-styles/test_angle_style.cpp
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@ -138,8 +138,10 @@ LAMMPS *init_lammps(LAMMPS::argv &args, const TestConfig &cfg, const bool newton
} }
command("run 0 post no"); command("run 0 post no");
command("variable write_data_pair index ii");
command("write_restart " + cfg.basename + ".restart"); command("write_restart " + cfg.basename + ".restart");
command("write_data " + cfg.basename + ".data"); command("write_data " + cfg.basename + ".data");
command("write_data " + cfg.basename + ".data pair ${write_data_pair}");
command("write_coeff " + cfg.basename + "-coeffs.in"); command("write_coeff " + cfg.basename + "-coeffs.in");
return lmp; return lmp;