Note that to change the volume (or cross-sectional area) of the simulation box at a constant rate, you can change multiple dimensions diff --git a/doc/fix_deform.txt b/doc/fix_deform.txt index 56dc25cef7..1da156a686 100644 --- a/doc/fix_deform.txt +++ b/doc/fix_deform.txt @@ -170,14 +170,16 @@ is defined as delta/length0, where length0 is the original box length and delta is the change relative to the original length. Thus if the {trate} R is 0.1 and time units are picoseconds, this means the box length will increase by 10% of its current length every picosecond. -I.e. strain after 1 psec = 0.1, strain after 2 psec = 0.21, etc. -R = 1 or 2 means the box length will double or triple every -picosecond. R = -0.01 means the box length will shrink by 1% of its -current length every picosecond. Note that for a "true" rate the -change is continuous and based on the current length, so running with -R = 1 for 10 picoseconds does not expand the box length by a factor of -10 as it would with {erate}, but by a factor of 1024 since it doubles -every picosecond. +I.e. strain after 1 psec = 0.1, strain after 2 psec = 0.21, etc. R = +1 or 2 means the box length will double or triple every picosecond. R += -0.01 means the box length will shrink by 1% of its current length +every picosecond. Note that for a "true" rate the change is +continuous and based on the current length, so running with R = 1 for +10 picoseconds does not expand the box length by a factor of 10 as it +would with {erate}, but by a factor of 1024 since it doubles every +picosecond. Note that the {trate} value must be < -1.0 to be valid, +since a value of -1.0 would mean shrink the box size or tilt by 100% +to a value of 0.0. Note that to change the volume (or cross-sectional area) of the simulation box at a constant rate, you can change multiple dimensions