Hello,
The documentation for the rotate option of the create_atoms command
states that the specified angle is in degrees. This is incorrect, as
MathExtra::axisangle_to_quat requires the angle to be in radians and
the specified angle (which is read in as thetaone) is never converted.
So I think either the manual or the source code should be corrected
for consistency.
-CBL
Thanks for the bug report.
Are you using the latest version of the LAMMPS code?
I think I sent a fix for this issue (and several others) to Steve in
mid November.
Steve, did you get a chance to look over the latest create_atoms.cpp code?
Do you want me to send it again?
Andrew
(Warning I may not be able to reply to this email soon. Starting
tomorrow I'll be abroad two weeks. I'm worried about gmail
accessibility.)
Andrew,
I am using the 24Nov2014 version of LAMMPS. But, I checked the source
in the latest LAMMPS release (19Dec2014) before posting to the
mail-list and the bug is not fixed yet.
-CBL