These are fix styles contributed by users, which can be used if diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index a7f58bf584..d836974aa8 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -392,6 +392,7 @@ of each style or click on the style itself for a full description: "dt/reset"_fix_dt_reset.html, "efield"_fix_efield.html, "enforce2d"_fix_enforce2d.html, +"evaporate"_fix_evaporate.html, "freeze"_fix_freeze.html, "gravity"_fix_gravity.html, "gyration"_fix_gyration.html, diff --git a/doc/fix.html b/doc/fix.html index 31e5333f7d..e27294e6a1 100644 --- a/doc/fix.html +++ b/doc/fix.html @@ -120,6 +120,7 @@ list of fix styles available in LAMMPS:
Syntax: +
+fix ID group-ID evaporate N M region-ID seed ++
Examples: +
+fix 1 solvent evaporate 1000 10 surface 49892 ++
Description: +
+Remove M atoms from the simulation every N steps. This can be used, +for example, to model evaporation of a solvent or drying of a system. +Every N steps, the number of atoms in the fix group and within the +specifed region are counted. M of these are chosen at random and +deleted. If there are less than M eligible particles, then all of +them are deleted. +
+Note that neighbor lists are re-built on timesteps that atoms are +removed. Thus you should not remove atoms too frequently or you will +incur overhead due to the cost of building neighbor lists. +
+Restart, fix_modify, output, run start/stop, minimize info: +
+No information about this fix is written to binary restart +files. None of the fix_modify options +are relevant to this fix. +
+The cummulative number of deleted atoms is stored as a scalar quantity +by this fix. This quantity can be accessed by various output +commands. The scalar value is "intensive", +meaning it is independent of the number of atoms in the simulation. +
+No parameter of this fix can be used with the start/stop keywords of +the run command. This fix is not invoked during energy +minimization. +
+Restrictions: none +
+Related commands: +
+ +Default: none +
+ diff --git a/doc/fix_evaporate.txt b/doc/fix_evaporate.txt new file mode 100644 index 0000000000..6c4eda2443 --- /dev/null +++ b/doc/fix_evaporate.txt @@ -0,0 +1,64 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +fix evaporate command :h3 + +[Syntax:] + +fix ID group-ID evaporate N M region-ID seed :pre + +ID, group-ID are documented in "fix"_fix.html command +evaporate = style name of this fix command +N = delete atoms every this many timesteps +M = number of atoms to delete each time +region-ID = ID of region within which to perform deletions +seed = random number seed to use for choosing atoms to delete :ul + +[Examples:] + +fix 1 solvent evaporate 1000 10 surface 49892 :pre + +[Description:] + +Remove M atoms from the simulation every N steps. This can be used, +for example, to model evaporation of solvent particles (i.e. drying) +of a system. Every N steps, the number of atoms in the fix group and +within the specifed region are counted. M of these are chosen at +random and deleted. If there are less than M eligible particles, then +all of them are deleted. + +Note that you cannot currently delete solvent molecules with this +command, only individual atoms. If you delete only one atom in a +molecule, an error will result. + +Note that neighbor lists are re-built on timesteps that atoms are +removed. Thus you should not remove atoms too frequently or you will +incur overhead due to the cost of building neighbor lists. + +[Restart, fix_modify, output, run start/stop, minimize info:] + +No information about this fix is written to "binary restart +files"_restart.html. None of the "fix_modify"_fix_modify.html options +are relevant to this fix. + +The cummulative number of deleted atoms is stored as a scalar quantity +by this fix. This quantity can be accessed by various "output +commands"_Section_howto.html#4_15. The scalar value is "intensive", +meaning it is independent of the number of atoms in the simulation. + +No parameter of this fix can be used with the {start/stop} keywords of +the "run"_run.html command. This fix is not invoked during "energy +minimization"_minimize.html. + +[Restrictions:] none + +[Related commands:] + +"fix deposit"_fix_deposit.html + +[Default:] none