[QE-developers] input_drho in input.f90

[Paolo Giannozzi]

I'll remove the unneeded reinitialization. Re-adding those input variable
could also be done, but there must be a good reason: each new input
variable requires, at least in principle, to
- add the variable to input_parameters.f90
- add the variable to a namelist if read from namelist, to cards if read
from cards
- set a default value
- check for bad values or for incompatibility with other options
- actually use it in the code in a correct way
- add a test for it
- add documentation
- add it to the xml schema
- add it to routines reading and writing the xml file

Paolo


On Thu, Nov 14, 2019 at 1:18 PM Antoine Jay <ajay at laas.fr> wrote:

> Dear developers,
> Is it possible to delete the two lines
> input_drho=' '
> outputdrho=' '
> in PW/src/input.f90
> because they have already been initialized in
> Module/io_files.f90
> and their reinitialization forbid users to change them...
>
> Or, better, to add them as new standard inputs?
> Actually they are unused variables but they can be used when we do two
> consecutive scf calculations with only small deformations.
>
> Thank you very much
>
> Antoine Jay _______________________________________________
> developers mailing list
> developers at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/developers
>


-- 
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
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