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Ticket #147 (assigned enhancement)

Opened 2 months ago

Last modified 1 week ago

Add Method to rigidly connect molecules

Reported by: phillicl Assigned to: joaander (accepted)
Priority: major Milestone: 0.9.0
Component: Data Structures Keywords:
Cc:

Description

My applications would benefit greatly from being able to rigidly connect various particles. I believe this can be done by using quaternions or by explicitly solving certain eulerian equations of motion, and that one method vs. the other is used depending on the symmetry of the resultant object.

Attachments

Change History

11/11/08 14:25:04 changed by joaander

  • priority changed from normal to major.
  • status changed from new to assigned.
  • component changed from Computes to Data Structures.
  • milestone changed from 1.0 to 0.9.0.

I will begin writing the data structures for this in after finishing tickets #137 and #111 (and HOOMD 0.8.0 is complete).

After that, I will pass it on to the experts at Glotzer group to write the dynamics as sublcassed integrators NVEUpdaterRigid and BD_NVTUpdaterRigid.

Add/Change #147 (Add Method to rigidly connect molecules)