lammps-user:About fix evaporate command

hello,everyone:
I have a question about “fix evaporate command”
It said that “Remove M atoms from the simulation every N steps” , but in practical evaporation , the number of evaporating particles is not fixed . So i am confused about it ,and hope you can answer me .
thank you and best regards.
bingbing

Hi bingbing,

this is just an idea - why don’t you store the number of molecules you want to evaporate in a variable and unfix and reapply your evaporate fix every couple steps? This way you could easily control the number of molecules being evaporated. I’m not sure though, if you really have to reapply your fix.

cheers,

Nikita

2011/11/4 王兵兵 <[email protected]…223…>

2011/11/4 王兵兵 <[email protected]…43…23…>

hello,everyone:
I have a question about “fix evaporate command”
It said that “Remove M atoms from the simulation every N steps” , but in practical evaporation , the number of evaporating particles is not fixed . So i am confused about it ,and hope you can answer me .

please provide a reproducible example where the fix does not do
what it claims to do. many people have been claiming that things
in lammps “don’t work”, but more often than not this was found to
be the result of incorrect use of the feature or a misunderstanding
of the documentation. without an example that reproduces the
behavior you consider to be in conflict with the documentation,
there is little point to discuss. nobody here can read your mind or
that of your computer. sorry.

cheers,
axel.

If you are saying you want some different behavior
(e.g. a more random M each time particles
are removed, then you'd have to program it).
The fix does what it says. If you are saying it
isn't doing what it says, then give more details.

Steve