Update lebedeva potential file and docs based on email on mailing list

https://matsci.org/t/lammps-users-webpage-and-parameter-file-for-the-lebedeva-potential/39059
2021-11-04 15:20:29 -04:00
parent 8e89c7c654
commit 2cd862e4a2
4 changed files with 50 additions and 17 deletions
--- a/unittest/force-styles/tests/manybody-pair-lebedeva_z.yaml
+++ b/unittest/force-styles/tests/manybody-pair-lebedeva_z.yaml
@ -14,7 +14,7 @@ post_commands: ! ""
 input_file: in.bilayer
 pair_style: hybrid/overlay lebedeva/z 16.0
 pair_coeff: ! |
-  * * lebedeva/z CC.Lebedeva C C C
+  * * lebedeva/z CC.Lebedeva C1 C1 C1
 extract: ! ""
 natoms: 48
 init_vdwl: 2360.887727742073