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推荐一个介观模拟的软件【ESPResSo】

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发表于 2008-6-15 23:29:00 | 显示全部楼层 |阅读模式
Extensible Simulation Package for Research on Soft matter
【http://espressowiki.mpip-mainz.mpg.de/wiki/index.php/Main_Page】
ESPResSo is a highly versatile software package for the scientific simulation and analysis of coarse-grained atomistic or bead-spring models as they are used in soft matter research, with emphasis on charged systems.
[
[color=]edit
] Features
  • ESPResSo can perform Molecular Dynamics simulations of bead-spring models in various ensembles ((N,V,E), (N,V,T), and (N,p,T))
  • ESPResSo contains a number of advanced algorithms, e.g.
  • DPD thermostat (for hydrodynamics)
  • P3M, MMM2D, MMM1D, ELC for electrostatic interactions
  • Lattice-Boltzmann for hydrodynamics (under development)
  • ESPResSo is open-source and free
  • ESPResSo is parallelised, i.e. it can run on many processors in parallel
  • ESPResSo is
    [color=]Tcl
    -script-driven
  • License:
    [color=]GPL (GNU public license)
  • Computer platform requirements:
  • ESPResSo should run on most
    [color=]POSIX
    operating systems (i.e. most Unix and Linux operating systems). In particular, ESPResSo is developed and tested on GNU/Linux (32-bit/64-bit), AIX and Mac OS X.
  • As ESPResSo has to be manually compiled (no binaries are available!), a C-compiler has to be installed.
  • ESPResSo requires a not-too-old-version of the the scripting language
    [color=]Tcl/Tk
  • Many methods and analysis routines require the
    [color=]FFTW library
  • For parallel execution, ESPResSo requires an MPI parallel environment, e.g.
    [color=]OpenMPI
    ,
    [color=]LAM/MPI
    or
    [color=]MPICH
  • ESPResSo has been developed at the
    [color=]Max-Planck-Institut für Polymerforschung (MPI-P) in Mainz
    [
    [color=]edit
    ] References
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    发表于 2008-6-16 01:03:00 | 显示全部楼层
    这个我也发过 http://www.mdbbs.org/viewthread.php?tid=2281
    很强大的东东
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    发表于 2008-6-20 16:41:00 | 显示全部楼层
    看不懂不过偏要看看~~

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    发表于 2008-6-20 22:03:00 | 显示全部楼层
    介观模拟,这个和Fluent比呢
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    发表于 2009-1-11 07:57:00 | 显示全部楼层
    It is great. Thanks
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    发表于 2010-10-9 22:23:00 | 显示全部楼层
    fluent是有限元,espresso是粒子方法,对否
    http://hi.baidu.com/nuaazp/blog/ ... b522d9d10060a9.html
    http://espressowiki.mpip-mainz.mpg.de/wiki/index.php/Main_Page
    lz用这个软件么?
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