We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent c051764 commit 7adaf83Copy full SHA for 7adaf83
1 file changed
source/lmp/tests/test_lammps_dpa_pt.py
@@ -496,8 +496,11 @@ def test_pair_deepmd_type_map(lammps_type_map) -> None:
496
497
498
def test_pair_deepmd_type_map_with_null(lammps_type_map) -> None:
499
- lammps_type_map.pair_style(f"deepmd {pb_file.resolve()}")
500
- lammps_type_map.pair_coeff("* * H O NULL")
+ lammps_type_map.pair_style(
+ f"hybrid/scaled 0.5 deepmd {pb_file.resolve()} 0.5 deepmd {pb_file.resolve()}"
501
+ )
502
+ lammps_type_map.pair_coeff("* * deepmd 1 H NULL")
503
+ lammps_type_map.pair_coeff("* * deepmd 2 NULL O")
504
lammps_type_map.run(0)
505
506
0 commit comments