QCT Bayesian Statistics
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| - | In order to use this, you must have python with numpy installed on your system and copy the ucgrad directory of [http://forcesolve.sourceforge.net forcesolve] (forcesolve/cg_topol/ucgrad) to your python site-packages directory (/usr/lib64/python2.4/site-packages/ on my system). | + | In order to use this, you must have python with numpy installed on your system and have access to our own utilities directory, ucgrad. |
| + | |||
| + | You can get ucgrad from [http://forcesolve.sourceforge.net forcesolve] (forcesolve/cg_topol/ucgrad) by downloading or directly using svn: | ||
| + | ''svn export http://forcesolve.svn.sourceforge.net/svnroot/forcesolve/trunk/cg_topol/ucgrad ucgrad'' | ||
| + | |||
| + | To access it using ''from ucgrad import *'' within python, you have three options: | ||
| + | * Add it to your python site-packages directory (/usr/lib64/python2.4/site-packages/ on my system). | ||
| + | * Set the variable PYTHONPATH to wherever you keep ucgrad (e.g. $HOME/src/ucgrad). | ||
| + | * Make sure it is in the current directory. | ||
| + | |||
| + | I use the first and second ones, having added a symlink in site-packages. | ||
Revision as of 18:18, 14 January 2009
The following is our reference implementation of the the hard sphere free energy calculation of JCP129(13):134505.
In order to use this, you must have python with numpy installed on your system and have access to our own utilities directory, ucgrad.
You can get ucgrad from forcesolve (forcesolve/cg_topol/ucgrad) by downloading or directly using svn: svn export http://forcesolve.svn.sourceforge.net/svnroot/forcesolve/trunk/cg_topol/ucgrad ucgrad
To access it using from ucgrad import * within python, you have three options:
- Add it to your python site-packages directory (/usr/lib64/python2.4/site-packages/ on my system).
- Set the variable PYTHONPATH to wherever you keep ucgrad (e.g. $HOME/src/ucgrad).
- Make sure it is in the current directory.
I use the first and second ones, having added a symlink in site-packages.
