enable lj/gromacs for fix adapt

2025-04-01 15:36:44 +02:00
parent c99ae613de
commit db8dae3300
4 changed files with 16 additions and 1 deletions
--- a/unittest/force-styles/tests/mol-pair-lj_gromacs.yaml
+++ b/unittest/force-styles/tests/mol-pair-lj_gromacs.yaml
@ -18,7 +18,9 @@ pair_coeff: ! |
  3 3  0.02   3.2
  4 4  0.015  3.1
  5 5  0.015  3.1
-extract: ! ""
+extract: ! |
+  epsilon 2
+  sigma 2
 natoms: 29
 init_vdwl: 749.2511379269325
 init_coul: 0