目前LAMMPS计算主要应用于：（1）研究金属材料的力学性能，LAMMPS可以模拟金属材料的塑性变形和断裂行为，从...
MPI_INC = -I/opt/mpich/include -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 ###上面是大写的i别搞错了 MPI_PATH = -L/opt/mpich/lib #MPI_LIB = -lmpich -lmpl –lpthread MPI_LIB = -lmpich -lmpl # FFT library # see discussion in Section 2.2 (step 6) of manual # can be left b...
LAMMPS可以在单个处理器的台式机和笔记本本上运行且有较高的计算效率，但是它是专门为并行计算机设计的。他可以在任何一个按装了C++编译器和MPI的平台上运算，这其中当然包括分布式和共享式并行机和B e owulf型的集群机。LAMMPS是一可以修改...
pair_coeff 命令指定了不同类型原子间势函数的具体参数。 其中 I,J 代表原 子类型, 可以利用具体的代表原子类型的数字表示, 要求 I<=J, IJ 间的相互 作用和 JI 间的相互作用是相同的。 采用星号可以同时表示多种原子类型。 此时 I,J 可以有四种表示形式: ,n,n,mn。 单个星号表示所有的原子类型 1 到 N...
(int iarg = 0; iarg < nvalues; iarg++) { line += earg[iarg]; line += ' '; } // if wildcard expansion occurred, free earg memory from exapnd_args() if (expand) { for (int i = 0; i < nvalues; i++) delete[] earg[i]; memory->sfree(earg); } } else error->...
parent directory .. amber2lmp ch2lmp coding_standard colvars createatoms drude eam_database eam_generate eff emacs fep i-pi ipp kate lammps-gui lmp2arc lmp2cfg matlab moltemplate msi2lmp offline phonon polybond pymol_asphere python replica ...
MPI_INC = -DOMPI_SKIP_MPICXX 添加-I/{openmpi安装目录}/include (例如-I/home/BSS03/software/openmpi-1.4.5/include) MPI_PATH = MPI_LIB = 添加–L/{openmpi安装目录}/lib –lmpi (例如-L/home/BSS03/software/openmpi-1.4.5/lib -lmpi) # FFT library, OPTIONAL # see discussion in doc/Sec...
Number Constant Thermo keywords Math operators 0.2, 100, 1.0e20, -15.4, etc PI vol, pe, ebond, etc (), -x, x+y, x-y, x*y, x/y, x^y, x==y, x!=y, x<=\sqrt(x), exp(x), ln(x), log(x), abs(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), ...
MPI_INC =-DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I/home/hsiung/software/lammps/openmpi411/include MPI_PATH =-L/home/hsiung/software/lammps/openmpi411/lib MPI_LIB =-lmpi # FFT library # see discussion in Section 2.2 (step 6) of manual ...
To open it, use either \textit{Create Image} from the \textit{Run} menu, the \texttt{Ctrl-I} keyboard shortcut, or by clicking on the (right) palette button in the status bar. The image viewer works by telling LAMMPS to render an image of the current system using its own render ...