Dear All,
I have a small question I could not find an answer to regarding printing out variables.
Say, I store a current potential energy of the system and print it via fix print command:
---- log file ----
variable tmp equal pe
variable E0 equal \{tmp\}
variable E0 equal \-1451\.52016
\.\.\.
variable p10 equal pe\-{E0}
variable p10 equal pe--1451.52016
...
fix ... print "${p10}..."
All variables are stored internally as
double precision (~ 15 digits) values.
If you define E0 as your 3rd line as a value
in your input script that has 9 digits then
of course that is also what the internal
DP value will also store.
When a variable is printed to the screen
it will be rounded in the usual way a C-style
printf() value would be rounded. If you
output a variable with thermo output then
there is a thermo_modify option that controls
the precision so you could get full precision if
you like.
Steve