glotzerlab / hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
http://glotzerlab.engin.umich.edu/hoomd-blue
BSD 3-Clause "New" or "Revised" License
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Remove restriction that prevents logging spherocylinder shape #1898

Closed janbridley closed 1 month ago

janbridley commented 2 months ago

Description

While the integrators allow for sphereopolyhedra with two vertices (spherocylinders), an internal assertion in ShapeSpheropolyhedron.h::getShapeSpec prevented these shapes from being logged. This restriction has now been removed.

How has this been tested?

Existing tests have not been modified.

Change log

- Spheropolyhedra with two vertices can now be saved as a valid `gsd_shape_spec`

Checklist: