add explanation why we set pair_modify table only in the lammps_init()
This commit is contained in:
@ -123,6 +123,11 @@ LAMMPS *init_lammps(int argc, char **argv, const TestConfig &cfg, const bool new
|
|||||||
for (auto &pair_coeff : cfg.pair_coeff) {
|
for (auto &pair_coeff : cfg.pair_coeff) {
|
||||||
command("pair_coeff " + 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 0");
|
||||||
command("pair_modify table/disp 0");
|
command("pair_modify table/disp 0");
|
||||||
|
|
||||||
|
|||||||
Reference in New Issue
Block a user