القائمة
Use this skill for LAMMPS force-field minimization stages and generic minimization log inspection.
التثبيت باستخدام Codex أو Claude انسخ هذا Prompt والصقه في Codex أو Claude أو مساعد آخر ليراجع صفحة Skill ويثبّتها لك.
استنادا إلى تصنيف SOC المهني
| name | lammps-minimization |
| description | Use this skill for LAMMPS force-field minimization stages and generic minimization log inspection. |
| allowed-tools | lammps_forcefield_validate lammps_prepare remote_submission remote_submission_batch get_avail_remote_task lammps_log_summary md_trajectory_summary execute |
Use this skill for LAMMPS minimization from an explicit force-field card or prebuilt system.data.
lammps_forcefield_validate.lammps_prepare(recipe="minimize").remote_submission(task_name="lammps_execute").lammps_log_summary and inspect minimization stopping criterion.lammps_forcefield_validatelammps_prepareremote_submissionremote_submission_batchget_avail_remote_tasklammps_log_summarymd_trajectory_summaryexecutepair_style or pair_coeff.units, atom_style, masses, type mapping, and potential files in the normalized card.settings.etol, settings.ftol, settings.maxiter, settings.maxeval, and settings.min_style only as intentional overrides.lammps_log_summary for thermo rows, warnings/errors, minimization stopping criterion, final energy, and force evidence.Return:
lammps_log_summary pathreferences/lammps_minimization_reference.mdProposal-first scientific writing pipeline. Three modes (compose/revise/hybrid) with four-layer QA pipeline. Enforces evidence-before-prose, argument-before-sections, and contracts-before-paragraphs.
Use this skill for managed MLFF molecular dynamics, restart-safe trajectory continuation, ensemble selection, and trajectory-health analysis when mlff_md is available.
Use only after a DPDispatcher-backed managed execution tool returns a failure with receipt/context fields, an ambiguous transport error, or evidence of a possible orphan job. Do not use for a pending synchronous call or ordinary success.
Use this skill before remote_submission or remote_submission_batch to build and verify canonical stage directories for registered DPDispatcher tasks, including deterministic MLFF SP/relax, MD, and NEB input layouts.
Use this skill for managed MLFF NEB optimization after a complete locally interpolated fixed-image path has been validated.
Use this skill for MLFF single-point screening, ranking, and geometry relaxation when choosing among enabled MACE, FairChem UMA, MatterSim, or ORB-v3 backends.