Bug 203342

Summary: Displayed ionisation energy wrong because of false unit conversion
Product: [Applications] kalzium Reporter: johfel
Component: generalAssignee: Kalzium Developers <kalzium>
Status: RESOLVED FIXED    
Severity: normal CC: etienne.rebetez, lueck
Priority: NOR    
Version: unspecified   
Target Milestone: ---   
Platform: unspecified   
OS: Linux   
Latest Commit: Version Fixed In:
Attachments: the patch

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.