10. 4. 6. TIP4P and OPC water models — LAMMPS documentation The four-point TIP4P rigid water model extends the traditional three-point TIP3P model by adding an additional site M, usually massless, where the charge associated with the oxygen atom is placed
TIP4P water model_tip4p水模型-CSDN博客 在 LAMMPS 中实施 TIP4P 水有两种方法: 使用专门编写的配对样式,即使用不带 M 点的 TIP3P 几何图形。 然后从其他原子或每个水分子隐式推导出 M 点位置,并在力计算过程中加以使用。 然后将 M 上的力投射到氧原子和两个氢原子上。
8. 5. 3. TIP4P water model — LAMMPS documentation - ENEA The four-point TIP4P rigid water model extends the traditional three-point TIP3P model by adding an additional site, usually massless, where the charge associated with the oxygen atom is placed