Hello,
Is there a list somewhere that shows the order of actions in a given timestep? For example, if in the same timestep I have the following commands operating:
fix nve
fix langevin
fix bond/break
thermo
dump
write_restart
is all the output going to happen before the fixes, or after, or does it depend on the type of output and the type of fixes?
Also, does the run every command work with equal-style variables? I tried and I got an error.
variable restartFreq equal stride(9999,29999,10000)
reset_timestep 0
timestep 0.005
run 29999 every v_restartFreq "write_restart degraded_*.restart"
ERROR: Illegal run command (run.cpp:95)
I'm breaking bonds every 10000 steps (which also seems to not work with equal-style variables?) and I'm trying to save the system before every bond-breaking step. (The above was from a test run; the actual runs are much longer, which is why I want to save them at the end of every equilibrating stage.)
I would appreciate any ideas. Thank you!
Celia