1. Settings & configuration reference

This page lists defaults and explicit overrides. LatticeMind still requires an AI provider configuration and the RESCU license described in Licenses and solver executables. A solver command and its licensed data are required only when that solver executes.

1.1. Where settings come from

LatticeMind reads configuration from several places, in order of precedence (later sources override earlier ones):

1. Defaults baked into LatticeMind.

2. Config file — ~/.latticemind/config.json (or a file named by LATTICEMIND_CONFIG_FILE) and the Web UI’s ~/.latticemind/dashboard_settings.json.

3. The .env file in the folder you launch from.

4. Environment variables.

5. Interactive commands (/rescu, /compute, /language, …) and latticemind-web flags, for the current session.

Tip

The Web UI persists your choices to ~/.latticemind/dashboard_settings.json automatically. For servers and reproducibility, prefer .env or real environment variables.

1.2. AI provider & models

Variable	Purpose
RESCU_LLM_PROVIDER	openai (default) | claude | gemini | qwen | ollama.
OPENAI_API_KEY	OpenAI API key.
OPENAI_MODEL_QUICK / OPENAI_MODEL_THOROUGH	Fast/default and higher-effort OpenAI models (e.g. gpt-5.4-mini / gpt-5.4).
OPENAI_ORG_ID / OPENAI_PROJECT_ID	Only if your account uses org/project scoping.
CLAUDE_API_KEY (or ANTHROPIC_API_KEY)	Anthropic Claude key.
CLAUDE_MODEL_QUICK / CLAUDE_MODEL_THOROUGH	Claude models (e.g. claude-sonnet-4-6 / a stronger Claude model).
GEMINI_API_KEY (or GOOGLE_API_KEY)	Google Gemini key.
GEMINI_MODEL_QUICK / GEMINI_MODEL_THOROUGH	Gemini models (e.g. gemini-3-flash-preview / gemini-3.1-pro-preview).
DASHSCOPE_API_KEY	Qwen (DashScope) key.
DASHSCOPE_MODEL_QUICK / DASHSCOPE_MODEL_THOROUGH	Qwen models (e.g. qwen3-max).
OLLAMA_BASE_URL	Local Ollama endpoint (default http://127.0.0.1:11434).
OLLAMA_MODEL_QUICK / OLLAMA_MODEL_THOROUGH	Local Ollama models (e.g. qwen3:8b).

1.3. Reports & output location

Variable	Purpose
LATTICEMIND_ARTIFACTS_DIR	Root folder for projects and outputs (default ./latticemind_outputs). Point at persistent storage on shared machines and cloud.
RESCU_REPORT_FORMAT	html (default) or off to disable report generation.
LATTICEMIND_REPORT_LANGUAGE	auto (default) | en | fr | zh. auto follows the prompt language.

1.4. Web UI

Variable	Purpose
LATTICEMIND_WEB_HOST	Bind host (default 127.0.0.1; cloud mode uses 0.0.0.0).
LATTICEMIND_WEB_PORT	Bind port (default 7865).
LATTICEMIND_WEB_OPEN_BROWSER	0 to never open a local browser.
LATTICEMIND_WEB_BASE_PATH	Explicit proxy prefix (e.g. /proxy/7865) for reverse proxies.
LATTICEMIND_CLOUD_MODE	1 enables cloud-friendly defaults (bind 0.0.0.0, no browser).
LATTICEMIND_UI_MODE	Force an interface, e.g. cli for headless servers.

1.5. Solver commands, license & pseudopotentials

LatticeMind stores one launch command per solver. The Web UI persists these to ~/.latticemind/dashboard_settings.json under solver_commands; environment variables override them.

Variable	Purpose
LATTICEMIND_RESCU_CMD (or RESCU_CMD / RESCU_EXECUTABLE)	RESCU launch command (default: rescu on PATH).
LATTICEMIND_NANODCAL_CMD	NanoDCAL launch command.
LATTICEMIND_NANODCAL_DATA_PATH (or NANODCAL_DATA_PATH)	Extracted NeutralAtomDatabase root. LatticeMind searches it recursively for the *.nad or *.mat files required by the requested elements.
LATTICEMIND_VASP_CMD	VASP launch command (e.g. vasp_std).
LATTICEMIND_LICENSE_FILE	Exact RESCU license file used at LatticeMind startup. If unset, LatticeMind expects exactly one *.lic or *.license file under ~/.nanoacademic/RESCU. This startup check also applies when NanoDCAL is selected.
LATTICEMIND_PSEUDO_ROOT (or RESCU_PSEUDO)	Pseudopotential database folder (containing nano_tm_lda/ and nano_tm_pbe/). The wheel ships a runtime bundle, so this is optional.
VASP_PP_PATH	VASP POTCAR library directory.
LATTICEMIND_RESCU_SERIAL_ONLY_CALC_TYPES	Comma-separated calc types forced to run serially (default covers dfpt-phonon-bs, dfpt-phonon-dos, dfpt-optic, dfpt-raman).

The corresponding dashboard_settings.json shape:

{
  "solver": "rescu",
  "solver_commands": {
    "rescu": "/opt/esapp/rescu",
    "vasp": "vasp_std",
    "nanodcal": "/opt/nanodcal/bin/nanodcal"
  }
}

1.6. Parallel execution

Control local and remote parallel launches (also set from the Web UI Settings panel), and mapped to Slurm resources for remote jobs.

Variable	Purpose
LATTICEMIND_PARALLEL_ENABLED	1 to enable parallel execution.
LATTICEMIND_PARALLEL_LAUNCHER	none | mpirun | mpiexec | srun | custom | profile.
LATTICEMIND_PARALLEL_CUSTOM_LAUNCHER	Custom launcher prefix, e.g. jsrun -n 4.
LATTICEMIND_MPI_RANKS	MPI rank count (also Slurm --ntasks).
LATTICEMIND_THREADS_PER_RANK	OpenMP/BLAS threads per rank (also Slurm --cpus-per-task).
LATTICEMIND_VASP_KPAR / LATTICEMIND_VASP_NCORE / LATTICEMIND_VASP_NPAR	Optional VASP INCAR parallelization overrides.

1.7. Remote / HPC execution

Remote targets are defined in ~/.latticemind/remote_profiles.toml (see Step 2 — Describe the target). These variables select and describe the active target:

Variable	Purpose
LATTICEMIND_EXECUTION_BACKEND	local | remote | slurm.
LATTICEMIND_REMOTE_PROFILE	Default remote profile name.
LATTICEMIND_REMOTE_PROFILE_<SOLVER>	Per-solver remote profile override (e.g. LATTICEMIND_REMOTE_PROFILE_NANODCAL).
LATTICEMIND_REMOTE_SCHEDULER	direct | slurm.
LATTICEMIND_RUNTIME_PROFILE	Named runtime/deployment profile.
LATTICEMIND_SYSTEM_DESCRIPTION / LATTICEMIND_ENVIRONMENT_NOTES	Advisory deployment context used when planning run scripts and reports.
LATTICEMIND_OPERATOR_PROMPT_FILE	File of advisory operator instructions (deployment context only).

1.8. Documentation retrieval

The RESCU documentation is built in and works offline — no configuration required. Optional overrides:

Variable	Purpose
RESCU_DOCS_DIR	Read the RESCU docs from a different local folder.
RESCU_RAG_BACKEND	Set to openai to retrieve from an OpenAI vector store instead of the built-in docs.
OPENAI_VECTOR_STORE_ID	Your vector store ID (vs_…) when RESCU_RAG_BACKEND=openai.

1.9. Structure sourcing

Variable	Purpose
MATERIALS_PROJECT_API_KEY	Enables seeding structures from the Materials Project database.

1.10. A complete .env example

# --- AI provider ---
RESCU_LLM_PROVIDER=openai
OPENAI_API_KEY=your_key_here
OPENAI_MODEL_QUICK=gpt-5.4-mini
OPENAI_MODEL_THOROUGH=gpt-5.4

# --- Output & reports ---
LATTICEMIND_ARTIFACTS_DIR=/data/latticemind_outputs
RESCU_REPORT_FORMAT=html

# --- RESCU solver ---
LATTICEMIND_RESCU_CMD=/opt/esapp/rescu
LATTICEMIND_LICENSE_FILE=/opt/licenses/rescu.lic

# --- NanoDCAL solver (when selected) ---
LATTICEMIND_NANODCAL_CMD=/opt/nanodcal/bin/nanodcal
LATTICEMIND_NANODCAL_DATA_PATH=/opt/nanodcal/NeutralAtomDatabase

# --- Optional: Materials Project structure sourcing ---
MATERIALS_PROJECT_API_KEY=your_key_here