一些比较好用的kinetic monte carlo代码(添加Python3-wrapper)
源代码基于C++,并对于Python2写了wrapper。该库基于GCC-9.3和MPICH-3.3.2编译,并修改了Python2 wrapper以用于Python3
KMCLib官方已经提供了Python3的接口!
References DOI:
- 10.1016/j.cpc.2014.04.017
- 10.1016/j.cpc.2015.06.016
- 10.1016/j.cpc.2015.02.006
- 10.1021/acs.jctc.5b00401
源代码基于C++,并对于Python2写了wrapper。该库基于GCC-9.3和MPICH-3.3.2编译,并修改了Python2 wrapper以用于Python3
Some Demo for kmclib:
- https://github.com/txd283/FeCu-Irradiation-KMCLib 有编译好的Backend动态链接库,(OSX10.10.2NOMPI, Ubuntu-64bit-14.04-noMPI)
- https://github.com/xstl91/kMC_NO-CO (doi: 10.1021/jp2071869)