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wwccjj

金虫 (小有名气)

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[资源] gulp官网gulp软件

gulp的全称叫General Utility Lattice Program，由于其简称和某互联网开发软件重合，因此很难从中筛选出gulp的相关资源，更不用提找到gulp的官网了，这里将gulp的官网贴出来方便大家下载和寻求帮助。虽然gulp集成在Materials stiudio平台里面，但它是收费，不便使用，而独立的gulp code是免费的，一般可以装在linux系统里，使用简单，运行速度快，所以更推荐这个。

gulp官网：http://gulp.curtin.edu.au/gulp/
附上gulp4.4 code和说明书（软件解压后也有）。

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附件 1 : gulp-4.4.tgz

2017-01-09 09:33:25, 6.66 M

附件 2 : gulp4.4_manual.pdf

2017-01-09 09:34:41, 1.81 M

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wwccjj

金虫 (小有名气)

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GULP

GULP is a program for performing a variety of types of simulation on materials using boundary conditions of 0-D (molecules and clusters), 1-D (polymers), 2-D (surfaces, slabs and grain boundaries), or 3-D (periodic solids). The focus of the code is on analytical solutions, through the use of lattice dynamics, where possible, rather than on molecular dynamics. A variety of force fields can be used within GULP spanning the shell model for ionic materials, molecular mechanics for organic systems, the embedded atom model for metals and the reactive REBO potential for hydrocarbons. Analytic derivatives are included up to at least second order for most force fields, and to third order for many.

Scientific details about GULP can be found in the following papers:

GULP - a computer program for the symmetry adapted simulation of solids, J.D. Gale, JCS Faraday Trans., 93, 629 (1997)
Empirical potential derivation for ionic materials, J.D. Gale, Phil. Mag. B, 73, 3, (1996)
The General Utility Lattice Program, J.D. Gale and A.L. Rohl, Mol. Simul., 29, 291-341 (2003)
GULP: Capabilities and prospects, J.D. Gale, Z. Krist., 220, 552-554 (2005)
An efficient technique for the prediction of solvent-dependent morphology: the COSMIC method, J.D. Gale and A.L. Rohl, Mol. Simul., 33, 1237-1246 (2007)
Pair distribution functions calculated from interatomic potential models using the General Utility Lattice Program, E.R. Cope and M.T. Dove, J. Appl. Cryst., 40, 589-594 (2007)
A reactive force field for aqueous-calcium carbonate systems, J.D. Gale, P. Raiteri and A.C.T. van Duin, PCCP., 13, 16666-16679 (2011)

GULP is available for free for academic use by anyone with a valid University email account. To access the code please go to the appropriate tab and "register". The code is provided "as is" and without support. Any email queries should be sent to gulpcode at curtin.edu.au, and we will try to respond, though this may take some time, so please be patient.