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Progress in refactoring code and implementing unit tests #82
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I have a few suggestions
src/m_common/upsim.f90
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logical symmagp | ||
! argument parameters | ||
integer, intent(in) :: ndim, ind, ipf | ||
real(8), intent(in) :: value |
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real(8) and real*8 is not the same. Well it is in this case but not in the complex case. Its good to stick with one form. In most of the core star convetion is use.
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Hi @addman2 Thank you for the suggestion! I used the same conventions as the old ones. I agree to stick with one form! Shall we use the core star convention (real*8, complex*16 etc...) in all files? I can do this change while refactoring the code.
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Hi @kousuke-nakano ,
Yes, I think the star convention is already used more than the bracket convention. So to change to star one is easier than other way around. I can add this to the linter.
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Dear @addman2, sure! I will use the star convention in all sources. I will fix it during the ongoing refactoring process.
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Dear @kousuke-nakano,
what is the problem with intel OneAPI compilation? I know there are issues with it which one you experience?
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HI @addman2, the problem was the Intel GPG key. I guess it was updated. The problem has been solved. see #105
src/m_common/upvpot_ei.f90
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! argument parameters | ||
integer nion | ||
real(8), intent(in) :: rkel(3) |
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Same here, see comentary of upsim.f90
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Same above.
src/m_common/upvpotaa.f90
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! argument parameters | ||
integer, intent(in) :: nion | ||
real(8), intent(in) :: zeta(nion), iond(nion, nion), kappa, LBox |
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same here
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Same above
Hi all,
I think the bracket convention is more used, or at least is the one I have
seen used more often in the most recent fortran codes.
Ciao
Michele
…On Sat, Sep 30, 2023 at 4:29 PM kousuke-nakano ***@***.***> wrote:
***@***.**** commented on this pull request.
------------------------------
In src/m_common/upsim.f90
<#82 (comment)>:
> @@ -17,9 +17,15 @@ subroutine upsim(amat, ndim, ind, value, symmagp, ipf)
use allio, only: nelorb_at, pfaffup, kiontot
implicit none
- integer ndim, ndimh, ind, i, j, ipf
- real(8) amat(ndim, *), value
- logical symmagp
+ ! argument parameters
+ integer, intent(in) :: ndim, ind, ipf
+ real(8), intent(in) :: value
Dear @addman2 <https://github.com/addman2>, sure! I will use the star
convention in all sources. I will fix it during the ongoing refactoring
process.
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Dear @michele-casula, yes, you are right. The bracket one seems newer. Dear @addman2, we can use the bracket one, what do you think? As you pointed out, we should be careful about the complex case, i.e., complex(8) = complex*16. |
What I am doing right now are:
In this pull request, I have changed several codes in /src/m_common/
#12