Small changes in atomistic experiments

Author: emmanuellujan

examples/atomistic/srs-vs-sme-aspirin-rmd17.jl renamed to examples/atomistic/srs-vs-sws-aspirin-rmd17.jl

@@ -158,7 +158,7 @@ end
 ws = compute_weights(ds_train_rnd.Configurations;
                      create_feature=create_feature,
                      chunksize=2000,
-                     subchunksize=4)
+                     subchunksize=200)
 open("ws-hfo2.jls", "w") do io
     serialize(io, ws)
     flush(io)

examples/atomistic/srs-vs-sme-hfo2.jl renamed to examples/atomistic/srs-vs-sws-hfo2.jl

@@ -34,7 +34,7 @@ open("ws-iso17.jls", "w") do io
     serialize(io, ws)
     flush(io)
 end
-#sme = deserialize("ws-iso17.jls")
+#ws = deserialize("ws-iso17.jls")
 
 # Sampling experiments #########################################################