Bug 203342 - Displayed ionisation energy wrong because of false unit conversion
Summary: Displayed ionisation energy wrong because of false unit conversion
Status: RESOLVED FIXED
Alias: None
Product: kalzium
Classification: Applications
Component: general (show other bugs)
Version: unspecified
Platform: unspecified Linux
: NOR normal
Target Milestone: ---
Assignee: Kalzium Developers
URL:
Keywords:
Depends on:
Blocks:
 
Reported: 2009-08-10 19:19 UTC by johfel
Modified: 2010-11-20 20:09 UTC (History)
2 users (show)

See Also:
Latest Commit:
Version Fixed In:


Attachments
the patch (859 bytes, patch)
2009-08-10 19:21 UTC, johfel
Details

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Description johfel 2009-08-10 19:19:50 UTC
Version:           2.2.98 (using 4.3.00 (KDE 4.3.0), Debian packages)
Compiler:          cc 
OS:                Linux

The database contains the specific ionisation energy in eV
(electronvolt) but the code assumes kJ/mol (kilojoule per mole).
The unit conversion factor is also imprecise.

A patch that solves the problem can be found at http://bugs.debian.org/540474
Comment 1 johfel 2009-08-10 19:21:55 UTC
Created attachment 36049 [details]
the patch
Comment 2 Burkhard Lück 2009-10-08 15:48:34 UTC
I have applied the patch and compared the values displayed in kalzium with eg
http://www.chemglobe.org/general/atomeigenschaften/ionisierung/pse_list_1ion.csv.

The patch lokks ok to me, why is it not commited?
Comment 3 Etienne 2010-11-20 20:09:14 UTC
It was fixed in revision 1170654 and will be part of 4.6.
Thanks for the patch.