Bug 203342

Summary:	Displayed ionisation energy wrong because of false unit conversion
Product:	[Applications] kalzium	Reporter:	johfel
Component:	general	Assignee:	Kalzium Developers <kalzium>
Status:	RESOLVED FIXED
Severity:	normal	CC:	etienne.rebetez, lueck
Priority:	NOR
Version First Reported In:	unspecified
Target Milestone:	---
Platform:	unspecified
OS:	Linux
Latest Commit:		Version Fixed/Implemented In:
Sentry Crash Report:
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.