This commit is contained in:
Eisuke Kawashima
2020-03-14 12:38:28 +09:00
parent fa7085be07
commit 649a8cc01a
401 changed files with 617 additions and 617 deletions

View File

@ -27,7 +27,7 @@ The real and metal scripts each have a set of variables at the top
which define scale factors for converting quantities like distance,
energy, pressure from reduced LJ units to real or metal units. Once
these are defined the rest of the input script is very similar to the
LJ script. The approprate scale factor is applied to every input.
LJ script. The appropriate scale factor is applied to every input.
Output quantities are printed in both the native real/metal units and
unscaled back to LJ units. So that you can see the outputs are the
same if you examine the log files. Comments about this comparison
@ -49,6 +49,6 @@ identical input script in an alternate set of units. Where
"identical" means it runs the same simulation in a statistical sense.
You can find the full set of scale factors LAMMPS uses internally for
different unit systems it supports, at the top of the src/udpate.cpp
different unit systems it supports, at the top of the src/update.cpp
file. A couple of those values are used in the real and metal
scripts.