fixes
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@ -138,8 +138,10 @@ LAMMPS *init_lammps(LAMMPS::argv &args, const TestConfig &cfg, const bool newton
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}
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command("run 0 post no");
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command("variable write_data_pair index ii");
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command("write_restart " + cfg.basename + ".restart");
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command("write_data " + cfg.basename + ".data");
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command("write_data " + cfg.basename + ".data pair ${write_data_pair}");
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command("write_coeff " + cfg.basename + "-coeffs.in");
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return lmp;
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