LightForm-group/damask-parse

Worth adding np.around() to this line?

Closed this issue · 3 comments

I would like to add np.around(data, decimal=15) here to ensure quaternion orientations are extracted with machine precision.

'quaternions': data, # P=-1 convention

Please see the following pull request:

#8

This would be to improve feat/multipass in matflow-damask to ensure initialisation of a simulation always goes ahead. Currently material.yaml files look like this:

microstructure:
- homogenization: SX
  constituents:
  - fraction: 1.0
    orientation:
    - 0.3946718422645498
    - -0.33076098861323006
    - -0.0005347737836765269
    - 0.8572228527938958
    phase: Ti64_alpha

I suggest they look like this (with readability also taken into account):

microstructure:
- homogenization: SX
  constituents:
  - fraction: 1.0
    orientation:
    - 0.394671842264549800000000000000
    - -0.330760988613230060000000000000
    - -0.000534773783676526900000000000
    - 0.857222852793895800000000000000
    phase: Ti64_alpha

Adam's fix Change/machine-precision_quats remedied this.