Suggestion (BASIS_SET, POTENTIAL, ...)
ily... at gmail.com
Wed Apr 30 13:45:25 UTC 2008
The suggestion is that it would be nice to have a directory in the
cp2k distribution where all needed files with potentials, basis sets
and maybe force fields could be found and ready for use. Today as far
as I understand we have some files with basis sets in the ./tests
directory (which is a little bit confusing) and the latest version of
file with potentials can be found outside the distribution in
[Development]/cp2k/potentials directory on berlios.
To my mind it will be very convenient for the new users to be able to
find all the needed stuff in such directory right in the distribution.
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