Thursday, May 30, 2019

Temperature drops to zero in NVT with ReaxFF

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I met this issue recently: Temperature drops to zero in NVT with ReaxFF. If you happened to meet this problem too, the following tips you c...
Monday, September 15, 2014

Change sw potential and include packages in Lammps

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Change SW potential 1. Copy file pair_sw.cpp to ./lammps/src/  folder 2. Copy file Makefile.linux to ./lammps/src/MAKE/ folder 3. Copy ...
Sunday, September 14, 2014

Some commands for linux environmental variables

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1. $ echo $SHELL 2. $ echo $PATH 3. $ setenv 4. $ vi .tcshrc 5. $ which xxx (command, such vmd, lammps...)
Thursday, September 11, 2014

commands to check cpu information on Linux

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http://www.binarytides.com/linux-cpu-information CPU hardware information  The cpu information includes details about the processor, li...
Wednesday, July 10, 2013

Build Graphene with Material Studio

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Build Graphene with Material Studio   1) File -> Import -> Structures -> ceramics -> graphite.msi; 2) Build -> Symmetr...
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Wednesday, November 21, 2012

Access VirtualBox Shared Folder from Ubuntu 12.04 Guest Machine

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 from: http://www.liberiangeek.net/2012/05/access-virtualbox-shared-folder-from-ubuntu-12-04-precise-pangolin-guest-machine/ Using Virtu...
Sunday, November 4, 2012

How to generate LAMMPS data file with force field parameters

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http://sunghoedwardkim.blogspot.sg/2011/04/how-to-generate-lammps-data-file-with.html To make LAMMPS data file using pdb file in VMD, 1....