Module context 

Context layer for packmol-aligned packing runtime.

Re-exports

pub use model::ModelData;

pub use pack_context::ATOM_FLAG_FIXED;

pub use pack_context::ATOM_FLAG_SHORT;

pub use pack_context::AtomProps;

pub use pack_context::NONE_IDX;

pub use pack_context::PackContext;

pub use state::RuntimeState;

pub use state::RuntimeStateMut;

pub use work_buffers::WorkBuffers;

Modules

model

Read-only model/topology view over PackContext.

pack_context

Packing runtime context — mirrors Packmol compute_data behavior.

state

Runtime state views over PackContext.

work_buffers

Reusable temporary buffers for objective/gradient and movebad paths.