自己写的53个in和data文件,还有LAMMPS视频和PDF教程,分子模拟书籍等资料放送。加某微baolu_yao获取 (1)in和data文件之液滴定向移动的耗散粒子动力学(DPD)模拟 (2)in和data文件之冰块在阵列碳纳米管表面脱附过程的分子动力学模拟 (3)in和data文件之纳米流体(水+铜纳米颗粒)LAMMPS模拟 (4)in和data文件之固体颗粒...
variablecloop5#设置循环控制变量variablethetaindex1020304050#设置疏水条带角度variablepequal40#设置壁面振动周期loglog.${theta}#输出不同疏水条带角度时的日志文件unitsljdimension3boundarypppneighbor0.3binneigh_modifyevery1delay0checkyesatom_stylemdpdregionmdpdblock-5050.436802-1530-1550unitsboxcreate_box3mdpdlatt...
lammps_dpd_datasheet CLASSiCAL & MESOSCALE LAMMPS/DPD Plugin Perform Dissipative Particle Dynamics simulations to study the mesoscopic behavior of fluids and related materials
你好，我接触lammps不久，很抱歉不能回答你遇到的问题，但我想向你请教一个问题：我现在想用lammps做粗...
粗粒化作用势:DPD, GayBerne, Resquared, Colloidal, DLVO 介观作用势:granular, Peridynamics 键势能:harmonic, FENE, Morse, nonlinear, class2, quartic 键角势能:harmonic, CHARMM, cosine, cosine/squared, class2(COMPASS) 二面角势能:harmonic, CHARMM, multi-harmonic, helix, OPLS, class2(COMPASS) 不合...
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, Gay...
粗粒化感化势:DPD,GayBerne,Resquared,Colloidal,DLVO 介不雅感化势:granular,Peridynamics 键势能:harmonic,FENE,Morse,nonlinear,class2,quartic 键角势能:harmonic,CHARMM,cosine,cosine/squared,class2(COMPASS) 第2页,-共10页 分享高质量文档 分享高质量文档 二面角势能:harmonic,CHARMM,multi-harmonic,helix,OPLS...
do not output data from fix reaxff/bonds during setup() except for the very first time avoid infinite loop with cg minimizer and small forces support that cmdargs argument is not modified when creating LAMMPS object and thus can be reused ...
pair_style dpd:耗散粒子动力学。 pair_style dsmc:直接模拟蒙特卡洛方法计算粒子碰撞。 pair_style eam: 嵌入原子势。 pair_style eim: 嵌入离子势。 pair_style gauss: 势函数的表达式具有 Gaussian 函数的形式。 pair_gayberne: 考虑各向异性的 LJ 势。
fix mvv fluid mvv/dpd dump mydump all atom 10000 atom.lammpstrj timestep 0.01 fix group fluid gravity 0.02 vector 1 0 0 run500000 reset_timestep 0 compute cc1 fluid chunk/atom bin/1d y 0.0 0.01 units box fix vel fluid ave/chunk 1 1000000 1000000 cc1 vx norm sample file vel.profile ...