diff --git a/doc/src/fix_pour.rst b/doc/src/fix_pour.rst index 3b4bb5c723..771362056c 100644 --- a/doc/src/fix_pour.rst +++ b/doc/src/fix_pour.rst @@ -155,6 +155,21 @@ many timesteps until the desired # of particles has been inserted. the :doc:`compute_modify dynamic/dof yes ` command for the temperature compute you are using. +.. note:: + + The exact insertion procedure depends on many factors (e.g. the range of + diameters inserted or whether molecules are being inserted). However, in + the simplest scenario of monodisperse atoms, the procedure works as + follows. First, the number of timesteps between two insertion events is + calculated as the time for a particle to fall through the insertion region, + accounting for gravity and any region motion. Next, the target number of + particles inserted per event (assuming no failed insertions due to overlaps) + is calculated as the product of the volume fraction and the volume of the + insertion region divided by the volume of a particle (or area in 2D). + Events are repeated until all N particles have been inserted, where + the final event is likely interrupted upon reaching N. Estimates of this + process are printed to the log/screen at the start of a run. + ---------- All other keywords are optional with defaults as shown below.