katter-world.blogspot.com

Katter's World

Monday, September 15, 2014. Change sw potential and include packages in Lammps. 1 Copy file pair sw.cpp to ./lammps/src/ folder. 2 Copy file Makefile.linux to ./lammps/src/MAKE/ folder. 3 Copy fftw fold to ./lammps/ folder. 4 Go to folder ./lammps/src/. 5 make -j linux. Include Phonon package in lammps. 4 Go to website: http:/ code.google.com/p/fix-phonon/wiki/Install with LAMMPS. 5 Go to folder src. Append "user-phonon" to the variable "PACKUSER". 7 $cd ./lammps/lib/meam/. 9 $cd ./lammps/lib/reax/.

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Monday, September 15, 2014. Change sw potential and include packages in Lammps. 1 Copy file pair sw.cpp to ./lammps/src/ folder. 2 Copy file Makefile.linux to ./lammps/src/MAKE/ folder. 3 Copy fftw fold to ./lammps/ folder. 4 Go to folder ./lammps/src/. 5 make -j linux. Include Phonon package in lammps. 4 Go to website: http:/ code.google.com/p/fix-phonon/wiki/Install with LAMMPS. 5 Go to folder src. Append user-phonon to the variable PACKUSER. 7 $cd ./lammps/lib/meam/. 9 $cd ./lammps/lib/reax/.

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1 katter's world

2 change sw potential

3 edit makefile

4 under src

5 5 make yes kspace

6 6 make yes user phonon

7 install meam library

8 install reax library

9 12 $make yes meam

10 13 $make yes reax

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katter's world,change sw potential,edit makefile,under src,5 make yes kspace,6 make yes user phonon,install meam library,install reax library,12 $make yes meam,13 $make yes reax,include rebo potential,14$make yes manybody,lmp linux h,posted by,katter,from

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Katter's World | katter-world.blogspot.com Reviews

https://katter-world.blogspot.com

Monday, September 15, 2014. Change sw potential and include packages in Lammps. 1 Copy file pair sw.cpp to ./lammps/src/ folder. 2 Copy file Makefile.linux to ./lammps/src/MAKE/ folder. 3 Copy fftw fold to ./lammps/ folder. 4 Go to folder ./lammps/src/. 5 make -j linux. Include Phonon package in lammps. 4 Go to website: http:/ code.google.com/p/fix-phonon/wiki/Install with LAMMPS. 5 Go to folder src. Append "user-phonon" to the variable "PACKUSER". 7 $cd ./lammps/lib/meam/. 9 $cd ./lammps/lib/reax/.

INTERNAL PAGES

katter-world.blogspot.com

1

Katter's World: VMD installation: VMD Main Window missing

http://katter-world.blogspot.com/2012/10/vmd-installation-vmd-main-window-missing.html

Tuesday, October 30, 2012. VMD installation: VMD Main Window missing. After installation of VMD. When VMD starts, by default three windows will open (Fig. 2): the VMD Main window, the OpenGL Display window, and the VMD Console window (or a Terminal window on a Mac). If "VMD Main" window does not appear. To solve this problem, you can do in this way:. 1 Build a new file with name ".vmdrc" in your home directory (if you do not have). 2Add this line in the .vmdrc file: menu main on. March 8, 2014 at 1:48 PM.

2

Katter's World: July 2013

http://katter-world.blogspot.com/2013_07_01_archive.html

Wednesday, July 10, 2013. Build Graphene with Material Studio. Build Graphene with Material Studio. 1) File - Import - Structures - ceramics - graphite.msi;. 2) Build - Symmetry - Make P1;. 3) Remove one of the two layers;. 4) Build - Symmetry - Find Symmetry - Impose Symmetry;. 5) Build - Symmetry - Supercell 2*2*2;. 6) Build - Crystals - Rebuild Crystal - Lattice Parameters - a=4.26, b=2.46, c=25, alpha=beta=gamma=90 - Rebuild;. 7) Build - Symmetry - Supercell 5*5*1. Subscribe to: Posts (Atom).

3

Katter's World: How to generate LAMMPS data file with force field parameters

http://katter-world.blogspot.com/2012/11/how-to-generate-lammps-data-file-with.html

Sunday, November 4, 2012. How to generate LAMMPS data file with force field parameters. 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 load pdb file (or any molecule configuration file) in VMD. 2 in VMD command line, type. Topo writelammpsdata filename type. Type : full, atomic, etc. 3 a data file with filename is created in VMD folder. Msi2lmp.exe rootname -class I -frc force field name. Frc cvff (cvff.frc).

4

Katter's World: September 2011

http://katter-world.blogspot.com/2011_09_01_archive.html

Monday, September 19, 2011. Combine multiple pdfs into one with pdftk. Http:/ www.pdflabs.com/tools/pdftk-the-pdf-toolkit/. At first glance this topic might seem like an easy fix, but if you stop and think about it, there are few quick and easy methods for merging two or more PDF. Files The desired end result is one PDF file that contains all of the information from the original two or more files without any noticeable breaks or ugly indications of a hack. Or use Synaptic to install pdftk). 3 Decide what...

5

Katter's World: June 2012

http://katter-world.blogspot.com/2012_06_01_archive.html

Tuesday, June 26, 2012. Ubuntu Linux: How do I install .deb packages? Http:/ www.cyberciti.biz/faq/ubuntu-linux-how-do-i-install-deb-packages/. Q I am a new Ubuntu Linux use. I need to install a package called package.deb. I know I can use Synaptic package management to install packages from CD or Internet. But I want to install this special .deb file. So how can I install package? How do I install .deb file? To install package called package.deb type the following command:. Type the following command:.

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Monday, September 15, 2014. Change sw potential and include packages in Lammps. 1 Copy file pair sw.cpp to ./lammps/src/ folder. 2 Copy file Makefile.linux to ./lammps/src/MAKE/ folder. 3 Copy fftw fold to ./lammps/ folder. 4 Go to folder ./lammps/src/. 5 make -j linux. Include Phonon package in lammps. 4 Go to website: http:/ code.google.com/p/fix-phonon/wiki/Install with LAMMPS. 5 Go to folder src. Append "user-phonon" to the variable "PACKUSER". 7 $cd ./lammps/lib/meam/. 9 $cd ./lammps/lib/reax/.

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