Added MOLECULE and REAXFF to lammps

nanotech-empa · Feb 19, 2024 · 95f90bb · 95f90bb
1 parent a2b3692
commit 95f90bb
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