enable lj96 for fix adapt

This commit is contained in:
Evangelos Voyiatzis
2025-04-01 11:34:11 +02:00
committed by GitHub
parent 285baf27b5
commit c99ae613de
4 changed files with 15 additions and 1 deletions

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@ -18,7 +18,9 @@ pair_coeff: ! |
3 3 0.03375 3.2
4 4 0.0253125 3.1
5 5 0.0253125 3.1
extract: ! ""
extract: ! |
epsilon 2
sigma 2
natoms: 29
init_vdwl: 112.14679117633445
init_coul: 0