Hello,
I noticed that the berry_linemin subroutine does not have any 'PARENTS' listed, a quick check of the code also does not return any calls to berry_linemin but maybe I missed something.
Can anyone tell me if this is true and, if so, should development work include modifications to berry_linemin - OR - is this a redundant piece of code that shouldn't be bothered with?
Thanks in advance for you help!
Stuart
use of berry_linemin [SOLVED]
Re: use of berry_linemin
This routine is ineed orphan. It has been develop and fixed between October 2011 and April 2012, then marginally modified in 2013. Its main contributors are Josef Zwanziger and Marc Torrent. Let's wait for what they have to say about it.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain
Simune Atomistics
Donostia-San Sebastián, Spain
Re: use of berry_linemin
berry_linmin is an orphan and can be ignored. I was trying to carve it out of cgwf but had problems and never finished that task. I will remove it from the tree, and might come back to this aspect of cleaning up cgwf at a later date.
Joe
Joe
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
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- Posts: 3
- Joined: Fri Jun 20, 2014 12:08 pm
Re: use of berry_linemin [SOLVED]
OK, thanks for the info.