"kspace_style pppm 1e-5 kspace_modify slab 3.0"但仍然报错" Cannot use non-periodic boundaries...
最好还是用pppm，至少在带电高分子模拟的很多文献用lammps时都利用的是pppm，跟着用就没毛病，ewald...
ERROR on proc 2: Out of range atoms - cannot compute PPPM (src/KSPACE/pppm.cpp:1889)这个...
在这个例子中,lj/cut/coul/long是混合势函数,用于短程Lennard-Jones和长程库仑相互作用。kspace_style pppm设置长程库仑相互作用的计算方法为PPPM,kspace_modify gewald 0.3设置Gewald参数为0.3。 4. 验证kspace_modify gewald方法在应用中的正确性 添加kspace_modify gewald命令后,你应该重新运行你的LAMMPS模拟,检查是...
LAMMPS可以模拟饱和液体中晶体的析出么？
(FLERR,"KSpace style is incompatible with Pair style"); if (pppmflag && !force->pair->pppmflag) error->all(FLERR,"KSpace style is incompatible with Pair style"); if (msmflag && !force->pair->msmflag) error->all(FLERR,"KSpace style is incompatible with Pair style"); if (...
求翻译:kspace style是什么意思?待解决 悬赏分:1 - 离问题结束还有 kspace style问题补充:匿名 2013-05-23 12:21:38 null 匿名 2013-05-23 12:23:18 Kspace样式 匿名 2013-05-23 12:24:58 正在翻译,请等待... 匿名 2013-05-23 12:26:38 正在翻译,请等待... 匿名 2013-05-23 12:...
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Board2D::Shape::SolidStyle ) ) << sspel2 << K.sIncident( sspel2,0, K.sDirect( sspel2,0) ) << K.sIncident( sspel2,1, K.sDirect( sspel2,0) ); board.saveEPS("cells-1.eps"); board.saveSVG("cells-1.svg"); trace.endBlock(); ...
(1,0) );// linel (1,0) bottomCell linelt = K.uCell( Point(1,2) );// linel (1,2) topCell linell = K.uCell( Point(0,1) );// linel (0,1) leftCell linelr = K.uCell( Point(2,1) );// linel (2,1) rightboard << CustomStyle( ptlow.styleName(),newCustomColors( ...