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lammps interactive: move functionality to separate class #973

Merged

jan-janssen merged 30 commits into main from lammps_interactive_wrapper

Nov 23, 2023

.ci_support/environment.yml

-Original file line number
+Diff line change
@@ Expand Up / @@ -17,6 +17,7 @@ dependencies: @@
     - phonopy =2.20.0
     - pint =0.22
     - pyiron_base =0.6.9
+    - pylammpsmpi =0.2.6
     - pyscal =2.10.18
     - scikit-learn =1.3.2
     - scipy =1.11.3
@@ Expand Down @@