[CP2K-user] [CP2K:13004] unknown subsection

[zineb kerrami]

Dear Ari,
thank you for your helpful response

Le dim. 22 mars 2020 à 21:00, Ari Paavo Seitsonen <ari.p.... at gmail.com>
a écrit :

> Dear Zineb,
>
>   Which version of CP2K are you using? The elder versions had the
> sub-section, the documentation of the newest version not, but there is a
> note:
> "*Requests a RESP fit of charges. When using a periodic Poisson solver
> and a periodic cell, the periodic RESP routines are used. If the Hartree
> potential matches with the one of an isolated system (i.e. isolated Poisson
> solver and big, nonperiodic cells), the nonperiodic RESP routines are
> automatically used."*
>
> *    Greetings from Paris,*
>
>
> *       apsi*
>
> Le dim. 22 mars 2020 à 20:34, zineb kerrami <zz.k... at gmail.com> a
> écrit :
>
>> hello cp2k community,
>> i'm trying to run RESP fit, but I always found problem with the
>> subsection NONPERIODIC_SYS
>>
>> unknown subsection NONPERIODIC_SYS of section RESP
>>
>> any comments?
>>
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>>
>
>
> --
>
> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
>   Ari Paavo Seitsonen / Ari.P.... at iki.fi / http://www.iki.fi/~apsi/
>     Ecole Normale Supérieure (ENS), Département de Chimie, Paris
>     Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935
>
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>


-- 

*Zineb Kerrami*
Laboratoire de Matière Condensée et Sciences Interdisciplinaires (LaMCScI)
Faculté des Sciences, Université Mohammed V
4 Avenue Ibn Battouta, B.P. 1014 RP,
10000 Rabat, Morocco
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