README: full dev/ops doc

expand thermo to all 10 molecules (IR stays <=4-atom)

expand thermo to all 10 molecules (IR stays <=4-atom)

expand thermo to all 10 molecules (IR stays <=4-atom)

expand thermo to all 10 molecules (IR stays <=4-atom)

add formaldehyde + H2O2 IR/thermo (validated)

add formaldehyde + H2O2 IR/thermo (validated)

add formaldehyde + H2O2 IR/thermo (validated)

add formaldehyde + H2O2 IR/thermo (validated)

clarification node: converse for out-of-scope molecules / unavailable tasks; per-task availability; no-derivative matching

LLM intent router (agentic, robust naming) as primary; keyword only as fallback

clean calculator label for live runs (parse type/method from repr)

drop methane IR (unstable numerics); spectra = water/ammonia/CO2

v2: precomputed heavy runs (water so far)

v2: NL parsing + rich output + cached heavy tasks

v2: NL parsing + rich output + cached heavy tasks

v2: NL parsing + rich output + cached heavy tasks

CORS: allow *.vercel.app origins (prod alias + preview deploys)

ChemGraph Loop: guarded real-agent API (EMT/TBLite single-point energy)

initial commit