[QE-developers] length of string "atm( ntypx )" in Modules/ions_base.f90 in the develop version

[Paolo Giannozzi]

If you are aware of cases of incorrect or mismatched dimensioning of 
array "atm", please report where it happens.

The modified printout in the dynamical matrix files is harmless, as long 
as nobody tries to read the line with the old fixed format (which is a 
recipe for disaster).

Paolo

On 7/6/23 18:52, Giovanni Marini wrote:
> Dear developers,
> 
> 
> I noticed that in the develop branch of the code the length of the atm 
> string in Modules/ion_base.f90 has changed from 3 to 6.
> 
> 
> In some parts of the PHonon code and possibly even in other parts of the 
> code the string is assumed to have length 3. In particular, this string 
> will now have length 6 when printed in the header of the dynamical 
> matrix files. I just wanted to make sure that everybody was aware of 
> this in order to avoid unintended read/write behavior both in espresso 
> and other related softwares.
> 
> 
> Best,
> 
> 
> Giovanni Marini
> 
> Postdoctoral researcher
> 
> Italian Institute of Technology
> 
> 
> 
> 
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222