[CP2K:3772] Remove fixed_atoms after few steps during optimization
Sandeep Kumar Reddy
kuma... at gmail.com
Wed Mar 28 11:23:40 CEST 2012
I am sorry. I misguided myself because i have seen this OFF work in few
places in reg-tests infront of
Thanks for prompt reply.
On Wed, Mar 28, 2012 at 2:40 PM, Teodoro Laino <teodor... at gmail.com>wrote:
> Can you tell us where did you find written that the section "CONSTRAINT"
> is accepting a section parameter? (i.e. the OFF reported below)
> the atoms are fixed because you enforce them to be fixed.
> On Mar 28, 2012, at 10:56 AM, Sandeep Kumar Reddy wrote:
> &CONSTRAINT *OFF *
> LIST 1
> &END FIXED_ATOMS
> &END CONSTRAINT
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