势函数模块 (potentials) ======================= .. currentmodule:: thermoelasticsim.potentials 本模块提供各种原子间相互作用势函数。 基类 ---- .. automodule:: thermoelasticsim.potentials.base :members: :undoc-members: :show-inheritance: EAM势 ----- .. automodule:: thermoelasticsim.potentials.eam :members: :undoc-members: :show-inheritance: Lennard-Jones势 --------------- .. automodule:: thermoelasticsim.potentials.lennard_jones :members: :undoc-members: :show-inheritance: Tersoff势 --------- .. automodule:: thermoelasticsim.potentials.tersoff :members: :undoc-members: :show-inheritance: 机器学习势(开发中) -------------------- .. automodule:: thermoelasticsim.potentials.mlp :members: :undoc-members: :show-inheritance: