Changelog
Current version: v0.2.0
v0.2.02026-04-12
Guest Occupancy Analysis
- —Calculate cage occupancy ratios (θ_S, θ_L) for guest molecules
- —Multi-layer analysis with cross-layer guest detection
- —Enclathrated guests visualized as spheres inside cage wireframes
- —ENCLATHRATED GUESTS overlay panel with size control
Added- +Guest occupancy calculation via WASM calculate_occupancy
- +Cross-layer guest collection from separate .gro layers
- +ENCLATHRATED GUESTS checkbox and SIZE slider in overlay controls
- +Guest sphere visualization (only enclathrated guests shown as spheres)
Fixed- •Guest layer click in LAYERS tab no longer shows error (silent ignore)
- •Cage wire thickness restored to default 0.30 (was incorrectly set to 0.10)
- •Filter used != null instead of !== null to correctly handle Rust Option::None → JS undefined
v0.1.12026-03-12
Large Trajectory & Auth Fixes
- —Large .gro trajectory file support with background frame counting
- —OAuth account linking fixed
Added- +Streaming large trajectory worker with frame anchoring
Fixed- •OAuth provider account linking
- •WASM import compatibility
v0.1.02026-01-01
Initial Release
- —TRACE, HTR, GRADE cage detection algorithms
- —F3/F4 order parameters
- —GPU path-traced rendering (PRO)
- —MD trajectory support
- —Layer management system
Added- +Core WASM engine with Rust-based cage detection
- +React Three Fiber 3D visualization
- +Lemon Squeezy payment integration
- +Mintlify documentation site