Releases

From OctopusWiki

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!

1 Octopus
2 OpenDX
3 LibXC
4 Other packages

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Octopus

octopus 3.0.1 (stable, 2008-05-08).

octopus 3.0.0 (stable, 2008-02-19).

octopus 2.1.0 (stable, 2007-06-05).

octopus 2.0.1 (stable, 2006-03-23).

octopus 2.0 (stable, 2006-02-17).

Older releases
- 1.4: tar.gz, i386.rpm, x86_64.rpm, src.rpm, pdf, ps, html.tar.gz, html
- 1.3: tar.gz, i386.rpm, fedora.i386.rpm, src.rpm, pdf, ps, html.tar.gz, html
- 1.1: .tar.gz, i386.rpm, src.rpm, pdf, ps, html.tar.gz, html
- historical: 1.0.1.tar.gz, 1.0.tar.gz, 0.9.tar.gz

You can also get the development version from svn. You should note that development versions are likely to be broken, on the other hand, there is the possibility that these versions already have that nasty bug corrected!

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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:

CMSP-2.0.4.tar.gz (02/03/2007) (RPM for openSUSE)
CMSP_Linux.tar.gz (older version)

To install the chemistry packages

unpack the .tar.gz to a suitable directory.
edit the file CMSP-2.0.4/arch.mak to suit your environment
make install
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-2.0.4/macros
export DXMODULES=/usr/local/CMSP-2.0.4/bin

dx () { /usr/bin/dx -edit -mdf /usr/local/CMSP-2.0.4/CMSP.mdf $*; }

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