Dear LAMMPSers,

I am going to use Lammps to calculate orientation-dependent forces on finite size rigid bodies with

Dear LAMMPSers,

I am going to use Lammps to calculate orientation-dependent forces on finite size rigid bodies with

Dear LAMMPSers,

I am going to use Lammps to calculate orientation-dependent forces on finite

size rigid bodies with----------------------------------------------

atom_style hybrid sphere molecular

...

fix Rigids all rigid molecule

...

----------------------------------------------Assuming the force coefficients of a specific shaped rigid body are

pre-calculated from different Euler angles (a_x, a_y, a_z), and the uniform

force field (electric/fluid field, etc ) orientation is fix at Z+ direction.

Since "fix rigid" does calculate the quaternion information for each rigid

body, therefore the force coefficient can be calculated like: coeff_force =

Func(field_direction, quat_rigid) via the pre-calculated data (interpolation

utilized).My question is: how to use the per rigid/molecular quaternion information

"quat[ibody]" for

1) created a new fix for the orientation-dependent forces calculation

you can access internal data from other class instances via the

extract() function.

if a property is not listed, you can add it. body exists in

FixRigid::extract(), access to quat would need to be added.

and

2) if Lammps is called as static library for other program, how we can get

the quat[ibody] information?

same mechanism as above using lammps_extract_fix()

axel.