feature suggestion

[Toon Verstraelen]

Hi All,

I'm currently initiating one of our master thesis students (Marc Van
Houteghem) into the wonderful world of cp2k. :) We noticed that it would
be very useful to have the following feature in the input file:

When working with FF parameters from literature, some bond/bend/...
terms have the same parameters. For this purpose, It would be very
convenient to allow multiple ATOM lines in the BOND, BEND, ... sections.

e.g. in __ROOT__%FORCE_EVAL%MM%FORCEFIELD%BOND:

&BOND
  ATOMS Ci Hi
  ATOMS Cj Hj
  ...
  (parameters)
&END BOND


Is there a general interest in this feature? If so, I'll try to make a
patch.

best regards,

Toon