力场
(命令:pair style, bond style, angle style, dihedral style, improper style, kspace style)
对相互作用势: Lennard-Jones, Buckingham, Morse, Born-Mayer-Huggins, Yukawa, soft, class 2 (COMPASS), 氢键, tabulated(表格)
带电对相互作用势:Coulombic, point-dipole.
多体作用势: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), embedded ion method (EIM), EDIP, ADP, Stillinger-Weber, Tersoff, REBO, AIREBO, ReaxFF, COMB, SNAP, Streitz-Mintmire, 3-body polymorphic
长程库伦势、点偶极子势和LJ分散势:Ewald, Wolf, PPPM (similar to particle-mesh Ewald)
极化模型: QEq, core/shell model, Drude dipole model
电荷平衡:(QEq via dynamic, point, shielded, Slater methods)
粗粒化作用势:DPD, GayBerne, Resquared, Colloidal, DLVO
介观作用势:granular, Peridynamics,SPH
电子力场(eFF, AWPMD)
键势能:harmonic, FENE, Morse, nonlinear, class2, quartic
键角势能:harmonic, CHARMM, cosine, cosin