We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent 2b87b02 commit 9dbcf8fCopy full SHA for 9dbcf8f
1 file changed
test_driver/npt.lammps
@@ -83,7 +83,7 @@ thermo 1000
83
84
# Perform a short run and decide whether or not to quit
85
run 5000
86
-if "${msd_slope} > $(v_msd_threshold*(v__u_distance^2)/v__u_time)" then "write_dump all atom ${melted_crystal_output}" &
+if "${msd_slope} > $(v_msd_threshold*(v__u_distance^2))" then "write_dump all atom ${melted_crystal_output}" &
87
"print 'Crystal melted or vaporized'" &
88
"quit"
89
unfix msd_vector
0 commit comments