Struct BufferManager 

pub struct BufferManager {
    pub buffers: Vec<ManagedBuffer>,
    pub total_allocated: usize,
    pub max_budget: usize,
}

Manages the lifecycle of all GPU buffers for a quantum chemistry calculation.

Fields

buffers: Vec<ManagedBuffer>

total_allocated: usize

max_budget: usize

Implementations

impl BufferManager

pub fn new(max_budget_mb: usize) -> Self

pub fn allocate( &mut self, role: BufferRole, size_bytes: usize, label: &str, ) -> Result<usize, String>

Allocate a new managed buffer. Returns error if it exceeds WebGPU limits.

pub fn allocate_with_data( &mut self, role: BufferRole, data: Vec<u8>, label: &str, ) -> Result<usize, String>

Allocate a buffer with initial CPU data.

pub fn matrix_size(n_basis: usize) -> usize

Compute buffer size for a dense n×n matrix of f32.

pub fn plan_scf_buffers( &mut self, n_atoms: usize, n_basis: usize, n_primitives: usize, ) -> Result<ScfBufferPlan, String>

Plan all buffers needed for an SCF calculation.

pub fn release_all(&mut self)

Release all buffers and reset allocation tracking.

pub fn summary(&self) -> String

Summary of all allocated buffers for debugging.