From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Fri Apr 06 2018 - 13:05:07 CDT
On Fri, Apr 6, 2018 at 1:47 PM, Jérôme Hénin <jerome.henin_at_ibpc.fr> wrote:
> Hi Haochuan,
> This was not implemented, but it did seem to be a good suggestion.
> I have just committed the following change:
> Now, scripted and custom function colvars accept the keywords *period* and
> *wrapAround*, to manually define them as periodic.
> Please test it and tell me if it works in your case.
> On 6 April 2018 at 05:42, yjcoshc <yjcoshc_at_gmail.com> wrote:
>> I have defined a scripted function to calculate a collective variable
>> through the Colvars module. This function uses atan2 and have a period
>> ranged from -180.0 to 180.0. Now I enable the extended lagrangian dynamics,
>> but the extended CV looks not periodic. Is there any way to make the
>> extended CV periodic following the scripted function? (For example, wrap
>> the extended CV to 175 if it is -185)
>> Haochuan Chen
-- Giacomo Fiorin Associate Professor of Research, Temple University, Philadelphia, PA Contractor, National Institutes of Health, Bethesda, MD http://goo.gl/Q3TBQU https://github.com/giacomofiorin
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