Set number of degrees of freedom manually For N atoms: 3N (periodic), 3N-3 (non-periodic, COM removed), 3N-6 (non-periodic, COM and rotation removed)

* The line width used for all of the lines. * @{ */

Set a variant to a random type from fuzz data

Setters

Strip any leading non-JSON output (e.g. deprecation warnings printed to stdout by third-party libraries). Find the first '{' or '['.

* @return the type of constraint */

* Get the width of the viewport in pixels. */

Write one binary-v1 frame. The payload can be bytes-like. This primitive is intentionally generic so future protocols can layer batched/

Non-copyable (OpenGL resource)

Parse a batch coordinate payload into (batch_size, coords). Returns: (batch_size, coords) where coords has shape (batch_size, atom_cou

Parse a single-frame coordinate payload into a numpy array of shape (N, 3).

Write a batched energy response. The payload structure is: - batch_size: uint32 LE (4 bytes) - energies: batch_size doubles (LE)

Write a batched gradient response. The payload structure is: - batch_size: uint32 LE (4 bytes) - gradients: batch_size x atom_co