use of berry_linemin  [SOLVED]

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stuartbogatko
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Joined: Fri Jun 20, 2014 12:08 pm

use of berry_linemin

Post by stuartbogatko » Fri Jun 20, 2014 12:20 pm

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

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pouillon
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Location: Spain
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Re: use of berry_linemin

Post by pouillon » Fri Jun 20, 2014 4:02 pm

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

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jzwanzig
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Re: use of berry_linemin

Post by jzwanzig » Sat Jun 21, 2014 4:33 pm

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
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

stuartbogatko
Posts: 3
Joined: Fri Jun 20, 2014 12:08 pm

Re: use of berry_linemin  [SOLVED]

Post by stuartbogatko » Mon Jun 23, 2014 12:58 pm

OK, thanks for the info.

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