Added MOLECULE and REAXFF to lammps (#17)

Co-authored-by: psd <daniele.passerone@empa.ch>
nanotech-empa · Feb 19, 2024 · 41c87db · 41c87db
1 parent ca46a6f
commit 41c87db
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/Dockerfile b/Dockerfile
@@ -8,7 +8,7 @@ USER ${NB_USER}
 
 RUN mkdir /home/${NB_USER}/opt
 
-RUN cd /home/${NB_USER}/opt &&  git clone https://github.com/lammps/lammps && cd lammps/src && make lib-pace args="-b" && make yes-ml-pace && make yes-manybody && make lib-voronoi args="-b" && make yes-voronoi && make serial
+RUN cd /home/${NB_USER}/opt &&  git clone https://github.com/lammps/lammps && cd lammps/src && make lib-pace args="-b" && make yes-molecule && make yes-reaxff && make yes-rigid && make yes-ml-pace && make yes-manybody && make lib-voronoi args="-b" && make yes-voronoi && make serial
 
 USER root