Dear all,
Both fix deposit and create_atoms commands can add new atoms into the system. I need to know exactly how the ID of new atom is assigned by the two commands to monitor and control it.
For the create_atoms command, “The collection of created atoms are assigned
consecutive IDs that start immediately following the largest atom ID existing before the create_atoms command was invoked.”
How about fix deposit?
Thank you very much for helping me out!
Best regards,
How about fix deposit?
The same way.
Steve
Coincidentally, for another user, I just added an option
to fix deposit with an id next/max keyword, which will
change this behavior for fix deposit if you want.
Check out the 24Apr patch and doc page for details.
Steve
Dear all,
I got a problem:
Two fix diposit commands are used to deposit two different atoms and are followed by group command using atom ID to define the newly generated atoms as a group. Right after that, dump cfg is used in order to output group properties into cfg files.
Then, ‘run 1’ is used to trigger dump.
The log file shows that “0 atoms in group”.
Does the problem come from the “fix_deposit -> group -> dump -> rum” command succession? Does it mean that “run” should be used right after “fix_deposit” to update the newly deposited atom information aomong which, then , atom ID can be used to define group and dumped? Is this true or not?
Should I write “group -> dump” after “fix_deposit -> run” to dump cfg properly?
Dear all,
One more question.
Create_atoms can generate an atom and right after that the state of the new atom can be written into the dump_cfg file to monitor that whether the command can fulfill my purpose.
Can we use fix_deposit to carry on the same task, ie, using fix_deposite to generate a new atom with the velocity to be zero at the random position and write the instant initial state to dump file?
If we use “run 1”, the dumped state could already be that 1 timestep later, not exactly the initial state.
Someone could help me out?
Thank you in advance for your help.
Dear all,
I got a problem:
Two fix diposit commands are used to deposit two different atoms and are
followed by group command using atom ID to define the newly generated atoms
as a group. Right after that, dump cfg is used in order to output group
properties into cfg files.
Then, 'run 1' is used to trigger dump.
The log file shows that "0 atoms in group".
sure it does. when you define the group there are no atoms that match
the condition and groups are always evaluated immediately.
Does the problem come from the "fix_deposit -> group -> dump -> rum" command
succession? Does it mean that "run" should be used right after "fix_deposit"
to update the newly deposited atom information aomong which, then , atom ID
can be used to define group and dumped? Is this true or not?
fix deposit will assign deposited atoms to two groups. the fix group
and the group all.
Should I write "group -> dump" after "fix_deposit -> run" to dump cfg
properly?
you have to use the proper group id for the deposit fixes. please
re-read the documentation.
axel.
Hi Haining,
Why are you using “${AtomNo}”, which implies the number of atoms, for the “seed”? Please note this seed is merely a random number seed for generating pseudo-random numbers, and is NOT related to number of atoms at all.
So your command of “group g_All_Deped id >= 1001” would only work if you really have an exact 1000 atoms before deposit.
Ray