Yes, I'm creating the patches from the files.
For example, if you have a 'new' source code file with changes that were
made to the 'old' source code file, I create the patch file with [
https://en.wikipedia.org/wiki/Patch_(Unix) ]:
diff old.f new.f > my.patch
So the patch just contains the text differences between the two files
(old.f and new.f).
So I used SRC_symmetso/clmchange.f in the original WIEN2k 14.2 archive
(WIEN2k_14.2.tar). I saved the clmchange.f attachment from the post [
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12361.html
] as clmchange_new.f.
Then, I generated the patch with:
diff clmchange.f clmchange_new.f > clmchange.patch
This can be convenient, because the -b option can be used to create a
backup of the original file or -R can be used to reverse the changes
when using patch [
http://manpages.ubuntu.com/manpages/hardy/man1/patch.1.html ].
If you are managing a large set of patches, there is also quilt [
http://manpages.ubuntu.com/manpages/hardy/man1/quilt.1.html ].
On 7/6/2015 6:59 PM, Laurence Marks wrote:
Dear Gavin,
I like the idea of a patch directory. You are creating them from the
files?
---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi
On Jul 6, 2015 19:19, "Gavin Abo" <gs...@crimson.ua.edu
<mailto:gs...@crimson.ua.edu>> wrote:
Did you apply the source code fix to symmetso's clmchange.f of
WIEN2k 14.2 and accept the new structure generated by symmetso
during initso [
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12523.html
]?
There is clmchange.f at:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12361.html
or you might be interested in using clmchange.patch instead at:
https://github.com/gsabo/WIEN2k-Patches/tree/master/14.2
(click "WIEN2k-Patches" link, then "Download ZIP" button)
On 7/6/2015 4:05 AM, rahn...@hsu.ac.ir <mailto:rahn...@hsu.ac.ir>
wrote:
Dear Wien2k users,
I tried to run GGA+U calculation with structure of EuFe4Sb12. I am having
problem at the lapwdm step when both -so and -orb are turned on(Error in
LAPW2DM). Also,There is not any errors if I run with only the -orb option (no
spin-orbit coupling)or visa versa.
Your guidance to solve this problem will be greatly appreciated.
Yours,
Hossein
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