Difference between revisions of "Releases"

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You can also get the development version from [[Svn for users|svn]].
 
You can also get the development version from [[Svn for users|svn]].
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== OpenDX ==
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Our prefered tool for visualization is [http://www.opendx.org openDX]. However, to use the dx scripts distributed with {{octopus}}, you'll have to install the chemistry packages for [http://www.opendx.org openDX] from [http://www.tc.cornell.edu/Services/Vis/dx/index.asp Cornell]. These seem to be unmantained for several years, so we cleaned them up for your use, and added some useful stuff (like import of .xyz files). You can get them from here:
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* [http://www.tddft.org/programs/octopus/down.php?file=CMSP-2.0.2.tar.gz CMSP-2.0.2.tar.gz]
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* [http://www.tddft.org/programs/octopus/down.php?file=CMSP_Linux.tar.gz CMSP_Linux.tar.gz] (older version)
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To install the chemistry packages
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# unpack the {{code | .tar.gz}} to a suitable directory.
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# edit the file {{code | CMSP-2.0.2/arch.mak}} to suit your environment
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# make install
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# you have to set some environment variables. The simplest is probably to place them in {{code|/etc/profile.d/dx.sh}}. Mine looks like:
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export DXMACROS=/usr/local/CMSP-2.0.2/macros
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export DXMODULES=/usr/local/CMSP-2.0.2/bin
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dx () { /usr/bin/dx -edit -mdf /usr/local/CMSP-2.0.2/CMSP.mdf $*; }
  
 
== Other packages ==
 
== Other packages ==
  
 
* [http://www.tddft.org/programs/octopus/down.php?file=xyz-tools.tar.gz xyz-tools.tar.gz]: Some handy tools to generate (semiconducting clusters) and manipulate .xyz files.
 
* [http://www.tddft.org/programs/octopus/down.php?file=xyz-tools.tar.gz xyz-tools.tar.gz]: Some handy tools to generate (semiconducting clusters) and manipulate .xyz files.
 
* [http://www.tddft.org/programs/octopus/down.php?file=CMSP_Linux.tar.gz CMSP_Linux.tar.gz] (older version), [http://www.tddft.org/programs/octopus/down.php?file=CMSP-2.0.2.tar.gz CMSP-2.0.2.tar.gz]: Chemistry package for [http://www.opendx.org openDX] from [http://www.tc.cornell.edu/Services/Vis/dx/index.asp Cornell]. The package was stripped to its essencials, and hacked to allow import of .xyz files.
 
  
 
* [http://www.tddft.org/programs/octopus/down.php?file=carbon-tb.tar.gz carbon-tb.tar.gz]: Tight-binding code
 
* [http://www.tddft.org/programs/octopus/down.php?file=carbon-tb.tar.gz carbon-tb.tar.gz]: Tight-binding code

Revision as of 11:21, 22 January 2007

These programs are distributed in the hope that they will be useful, but without any warranty; without even the implied warranty of merchantability or fitness for a particular purpose. Use them at your own risk!

Octopus

You can also get the development version from svn.

OpenDX

Our prefered tool for visualization is openDX. However, to use the dx scripts distributed with Octopus, you'll have to install the chemistry packages for openDX from Cornell. These seem to be unmantained for several years, so we cleaned them up for your use, and added some useful stuff (like import of .xyz files). You can get them from here:

To install the chemistry packages

  1. unpack the .tar.gz to a suitable directory.
  2. edit the file CMSP-2.0.2/arch.mak to suit your environment
  3. make install
  4. you have to set some environment variables. The simplest is probably to place them in /etc/profile.d/dx.sh. Mine looks like:
export DXMACROS=/usr/local/CMSP-2.0.2/macros
export DXMODULES=/usr/local/CMSP-2.0.2/bin

dx () { /usr/bin/dx -edit -mdf /usr/local/CMSP-2.0.2/CMSP.mdf $*; }

Other packages

  • xyz-tools.tar.gz: Some handy tools to generate (semiconducting clusters) and manipulate .xyz files.

for carbon. You can calculate phonons, dynamics, etc.