Route DFTB+ requests to task-specific subskills based on user intent. Use when the user asks for DFTB+ workflows and you must decide between static, relaxation, molecular dynamics, or electronic-structure post-ground-state preparation. This orchestration skill dispatches to the correct subskill and enforces consistent handoff to submission skills.
v0.1.0Requires a runnable DFTB+ environment with suitable Slater-Koster parameter sets for the target elements.repositorysource
Please install the OpenClaw skill "dftbplus" on the OpenClaw host.
Steps:
- Download: https://skills.computchem.cn/skill-zips/dftbplus.zip
- Unzip it to get dftbplus/
- Copy dftbplus/ into the workspace skills directory (<workspace>/skills/)
- Start a NEW OpenClaw session so the skill is loaded
Then verify:
openclaw skills list --eligible
openclaw skills info dftbplus
Prerequisites: Requires a runnable DFTB+ environment with suitable Slater-Koster parameter sets for the target elements.
If you have shell access on the OpenClaw host, run the commands below.
·Direct download
# Download
wget -O dftbplus.zip https://skills.computchem.cn/skill-zips/dftbplus.zip
# Unzip. You will get a folder like:
# dftbplus/
unzip dftbplus.zip
# Copy into a loaded skills root:
# <workspace>/skills/dftbplus/SKILL.md
mkdir -p <workspace>/skills
cp -r dftbplus <workspace>/skills/
# Start a NEW OpenClaw session so the skill is loaded
# Verify:
openclaw skills list --eligible
openclaw skills info dftbplus
Prerequisites: Requires a runnable DFTB+ environment with suitable Slater-Koster parameter sets for the target elements.
DFTB+ Task Router
Use this skill as the top-level DFTB+ orchestration layer.
Purpose
This skill routes requests to one task-specific subskill path:
dftbplus/static
dftbplus/relax
dftbplus/md
dftbplus/electronic
Scope
This router skill should:
require a user-provided structure or prerequisite context
classify request intent into one DFTB+ task type
collect minimal shared context before dispatch
delegate detailed parameter handling to selected subskill
enforce consistent output/handoff policy across subskills
This router skill should not:
own detailed input templates for all tasks
execute or submit calculations
bypass task-specific guardrails
Hard requirement
The user must provide enough starting context:
structure input for static / relax / md
prerequisite ground-state context for electronic
If prerequisites are missing, stop and ask for them.
Routing rules
If user requests single-point energy/electronic SCF: route to dftbplus/static.
If user requests geometry optimization: route to dftbplus/relax.
If user requests molecular dynamics: route to dftbplus/md.
If user requests band/DOS-style electronic analysis workflow: route to dftbplus/electronic.
If intent is ambiguous, ask one focused clarification question before routing.
Shared policy for all subskills
do not invent missing SK parameter files
expose assumptions and unresolved scientific choices explicitly
return handoff-ready task layout
if execution is requested, hand off to dpdisp-submit