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Re: [lammps-users] Modifying bonds by a percentage
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Re: [lammps-users] Modifying bonds by a percentage


From: Jacob Gissinger <Jacob.Gissinger@...780...>
Date: Fri, 25 May 2018 21:27:17 -0600


Hi Pedro,

This does seem to be a one-line bug. You could check out the pull request on github to see if this results in the expected behavior.

Jake

P.S. Remember to cc lammps!

On Fri, May 25, 2018 at 8:23 AM, Pedro Silva <pess@...3440...> wrote:

Thank you Jacob for your fast reply.

I'm already using that function and read the documentation about it, however when I use the following input:

variable ramp_down equal "ramp(1.0,0.5)"
fix 3 all adapt 100 bond harmonic r0 * v_ramp_down scale yes reset yes

the wild-card asterisk seems to be applying over all atom types instead of all bond types. What am I missing?

Once again, thank you for all the support.

Pedro


On 24/05/2018 20:15, Jacob Gissinger wrote:

Hi Pedro,

You should check out the 'fix adapt' command.

Jake


On Thu, May 24, 2018 at 10:19 AM, Pedro Silva <pess@...3440...> wrote:
Dear all,

I wonder if it is possible to change different types of bonds by a relative amount. For instance, if we define the following equilibrium bond distances Bond_type_1 = a, Bond_type_2 = b, ..., how can we contract or expand all bonds by a percentage value.

Thank you

Pedro SIlva





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--


Pedro Emanuel Santos Silva, Ph.D.

Soft and Biofunctional Materials Group, CENIMAT|i3N,
Department of Materials Science, FCT-UNL,
Lab.107-D, EdifĂ­cio II, Campus de Caparica,
2829-516 Caparica, PORTUGAL
pess@...7654.....