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lammps
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add support enforce writing a data file with pair ij as required by sdk styles

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Axel Kohlmeyer 2020-08-07 00:05:34 -04:00
parent 1d539ea787
commit a42365bf90
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1 changed files with 2 additions and 1 deletions
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3
unittest/force-styles/test_pair_style.cpp
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@ -130,8 +130,9 @@ LAMMPS *init_lammps(int argc, char **argv, const TestConfig &cfg, const bool new
}
command("run 0 post no");
command("variable write_data_pair index ii");
command("write_restart " + cfg.basename + ".restart");
command("write_data " + cfg.basename + ".data");
command("write_data " + cfg.basename + ".data pair ${write_data_pair}");
command("write_coeff " + cfg.basename + "-coeffs.in");
return lmp;