From 3f74bd3a409875658cdccb2d57d72451680d322d Mon Sep 17 00:00:00 2001
From: sjplimp
Note that to change the volume (or cross-sectional area) of the @@ -304,8 +304,10 @@ triple every picosecond. R = -0.01 means the tilt factor will shrink by 1% every picosecond. Note that the change is continuous, so running with R = 1 for 10 picoseconds does not change the tilt factor by a factor of 10, but by a factor of 1024 since it doubles every -picosecond. Also note that the initial tilt factor must be non-zero -to use the trate option. +picosecond. Note that the trate value must be greater than -1.0 to +be valid, since a value of -1.0 would mean shrink the tilt by 100% to +a value of 0.0. Also note that the initial tilt factor must be +non-zero to use the trate option.
Note that shear strain is defined as the tilt factor divided by the perpendicular box length. The erate and trate styles control the diff --git a/doc/fix_deform.txt b/doc/fix_deform.txt index 1da156a686..a014f6afb1 100644 --- a/doc/fix_deform.txt +++ b/doc/fix_deform.txt @@ -177,8 +177,8 @@ 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% +picosecond. Note that the {trate} value must be greater than -1.0 to +be valid, since a value of -1.0 would mean shrink the box size by 100% to a value of 0.0. Note that to change the volume (or cross-sectional area) of the @@ -294,8 +294,10 @@ triple every picosecond. R = -0.01 means the tilt factor will shrink by 1% every picosecond. Note that the change is continuous, so running with R = 1 for 10 picoseconds does not change the tilt factor by a factor of 10, but by a factor of 1024 since it doubles every -picosecond. Also note that the initial tilt factor must be non-zero -to use the {trate} option. +picosecond. Note that the {trate} value must be greater than -1.0 to +be valid, since a value of -1.0 would mean shrink the tilt by 100% to +a value of 0.0. Also note that the initial tilt factor must be +non-zero to use the {trate} option. Note that shear strain is defined as the tilt factor divided by the perpendicular box length. The {erate} and {trate} styles control the