AGAPI Integration¶

CSPilot uses AGAPI through OpenAI-compatible clients and optional prebuilt AGAPI tools.

Configuration¶

AGAPI_API_KEY=your_api_key
AGAPI_BASE_URL=https://atomgpt.org/api
cspilot_MODEL=openai/gpt-oss-20b

Direct Agent¶

cspilot agent "inspect tests/examples/input.xyz" \
  --workdir runs/agent_test --agent-profile chem

agent supports:

--model openai/gpt-oss-20b
--base-url https://atomgpt.org/api
--agent-profile chem|materials|general

Planner, Run, and LangGraph¶

AGAPI planning is used by:

cspilot plan "inspect tests/examples/input.xyz" --workdir runs/plan
cspilot run "inspect tests/examples/input.xyz" --workdir runs/run
cspilot graph-run "inspect tests/examples/input.xyz" --workdir runs/graph

The model returns JSON plans. The executor calls only registered tools from the selected profile allowlist.

AGAPI Materials Query Wrapper¶

When the AGAPI prebuilt AGAPIAgent is available, CSPilot can delegate materials queries:

cspilot graph-run "Find all Al2O3 materials" \
  --profile auto --agent-mode multi --html --workdir runs/al2o3

The wrapper calls the equivalent of:

agent.query_sync(query, render_html=render_html)

Local Tools vs AGAPI Tools¶

Path	Examples	Data source
Local CSPilot tools	ASE, xTB, ORCA, MACE, stk, NWPESSe	local files and local executables
AGAPI planner	`plan`, `run`, `graph-run`	JSON tool selection only
AGAPI prebuilt tools	materials/JARVIS-style query	AGAPI response

AGAPI is not used to invent xTB or ORCA outputs. If a property is missing from parsed output, reports say it was not found in parsed results.