ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Updated pair_coeff in unittest to read only one potential file; added Nb.uf3 unified potential file

Browse Source
This commit is contained in:
Ajinkya Hire
2024-04-15 10:51:39 -04:00
parent cf729fc358
commit f6c8bd1178
3 changed files with 9 additions and 10 deletions
Download Patch File Download Diff File Expand all files Collapse all files

3
unittest/force-styles/tests/manybody-pair-uf3.yaml
View File

@ -14,8 +14,7 @@ post_commands: ! ""
input_file: in.manybody
pair_style: uf3 3
pair_coeff: ! |
* * Nb_Nb.uf3
3b * * * Nb_Nb_Nb.uf3
* * Nb.uf3 Nb Nb Nb Nb Nb Nb Nb Nb
extract: ! ""
natoms: 64
init_vdwl: -76.14388662099438