home/categories/computational-chemistry/jinzhezenggroup-computational-chemistry-agent-skills-quantum-chemistry-dft-abinit-md-skill-md
computational-chemistryresearch
md
Prepare ABINIT molecular-dynamics task inputs from a user-provided structure and MD controls. Use when the user needs finite-temperature trajectories with explicit ensemble, timestep, and thermostat controls.
maintainer
jinzhezenggroup
업데이트됨 3/24/2026
스타
32
포크
10
quick start
Installation and usage
Prepare ABINIT molecular-dynamics task inputs from a user-provided structure and MD controls. Use when the user needs finite-temperature trajectories with explicit ensemble, timestep, and thermostat controls.
설치
$ install --globalskills.sh
사용법
설치 후 터미널에서 다음 명령을 실행하여 이 스킬을 사용할 수 있습니다:
skills use md