CHARMM params

[ilya]

By the way, during my explorations i found an inconsistency in doc:

CP2K_INPUT / FORCE_EVAL / MM / FORCEFIELD / BEND / UB
KIND field

Current doc says
 	KIND {HARMONIC,CHARMM,G87,G96,QUARTIC}
	Define the kind of Urey-Bradley potential.
	This optional keyword cannot be repeated and it expects precisely one
keyword.
	Default value: CHARMM
	List of valid keywords:

      CHARMM
          Functional Form (HARMONIC|CHARMM|G87): K*(R-R0)^2

      G87
          Functional Form (HARMONIC|CHARMM|G87): K*(R-R0)^2

      G96
          Functional Form (G96): 1/4*K*(R-R0)^2

      HARMONIC
          Functional Form (QUARTIC): (1/2*K1+[1/3*K2+1/4*K3*|R-R0|]*|R-
R0|)(R-R0)^2

      QUARTIC
          Functional Form (HARMONIC|CHARMM|G87): K*(R-R0)^2


According to the code it should be the same as for BOND.
(exchange QUARTIC and HARMONIC description, HARMONIC and G87 mul by
1/2, etc)

Ilya.