add explanation why we set pair_modify table only in the lammps_init()

This commit is contained in:
Axel Kohlmeyer
2021-02-27 10:39:03 -05:00
parent f797d9cb2e
commit a6f32e472d

View File

@ -123,6 +123,11 @@ LAMMPS *init_lammps(int argc, char **argv, const TestConfig &cfg, const bool new
for (auto &pair_coeff : cfg.pair_coeff) {
command("pair_coeff " + pair_coeff);
}
// set this here explicitly to a setting different
// from the default, so we can spot YAML files for
// long-range interactions that do not include these
// settings. they will fail after restart or read data.
command("pair_modify table 0");
command("pair_modify table/disp 0");