support writing data files with PairIJ sections for all generic testers

2024-06-04 21:57:18 -04:00
parent de988b271b
commit d1978dd136
4 changed files with 8 additions and 4 deletions
--- a/unittest/force-styles/test_dihedral_style.cpp
+++ b/unittest/force-styles/test_dihedral_style.cpp
@ -136,8 +136,9 @@ LAMMPS *init_lammps(LAMMPS::argv &args, const TestConfig &cfg, const bool newton
    }

    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;