Missing Fortran wrappers for xc_f90_functional_get_name and xc_f90_functional_get_number
Bug #1248250 reported by
Yann Pouillon
This bug affects 1 person
Affects | Status | Importance | Assigned to | Milestone | |
---|---|---|---|---|---|
ABINIT |
In Progress
|
Medium
|
Yann Pouillon | ||
LibXC |
Fix Released
|
Medium
|
LibXC Developers |
Bug Description
The C routines xc_functional_
Changed in libxc: | |
status: | Fix Committed → Fix Released |
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For reference, the copy of my email to the LibXC mailing list:
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Hi,
Please find attached a patch for LibXC 2.0.1 adding the following Fortran
wrappers:
* subroutine xc_f90_ functional_ get_name( id, name) functional_ get_number( name)
* integer function xc_f90_
that have been requested many times for various projects. In particular, it
solves the issue of getting a functional number from the corresponding
description string, avoiding many potential typos in input files of Fortran
codes.
The patch is supposed to be applied this way:
cd /path/to/ libxc-2. 0.1 libxc-2. 0.1-fortran- wrappers. patch
patch -p1 < /path/to/
The patched library has been successfully tested for portability within Abinit
on the ETSF test farm.
Could you consider integrating it into the core source of LibXC, so that everyone benefits from it?
Thank you in advance.
Cheers,
Yann.
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