For reference, the copy of my email to the LibXC mailing list:
-----8<-----
Hi,
Please find attached a patch for LibXC 2.0.1 adding the following Fortran
wrappers:
* subroutine xc_f90_functional_get_name(id, name)
* integer function xc_f90_functional_get_number(name)
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
patch -p1 < /path/to/libxc-2.0.1-fortran-wrappers.patch
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?
For reference, the copy of my email to the LibXC mailing list:
-----8<-----
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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