Re: [Jmol-developers] Bug in GamessReader ?

[Bob H. <ha...@st...>]

this should be fixed  now for 11.3.8 and 11.2.8

Nicolas Vervelle wrote:

>Hi,
>
>Two files in Jmol-datafiles/gamess/ are not readable any more 
>(ch3oh_gam.out and water.out).
>(only tested with 11.3.7)
>
>java.lang.NumberFormatException: For input string: "TOTAL"
>    at 
>java.lang.NumberFormatException.forInputString(NumberFormatException.java:48)
>    at 
>java.lang.FloatingDecimal.readJavaFormatString(FloatingDecimal.java:1207)
>    at java.lang.Float.valueOf(Float.java:205)
>    at java.lang.Float.<init>(Float.java:289)
>    at 
>org.jmol.adapter.readers.more.GamessReader.readMolecularOrbitals(GamessReader.java:333)
>    at 
>org.jmol.adapter.readers.more.GamessReader.readAtomSetCollection(GamessReader.java:75)
>    at org.jmol.adapter.smarter.Resolver.resolve(Resolver.java:99)
>    at 
>org.jmol.adapter.smarter.SmarterJmolAdapter.openBufferedReader(SmarterJmolAdapter.java:57)
>
>junit.framework.AssertionFailedError: Error returned for 
>..\Jmol-datafiles\gamess\ch3oh_gam.out: Error reading file at line 423:
> TOTAL NUMBER OF ATOMIC ORBITALS       =   14
>For input string: "TOTAL"
>for file ch3oh_gam.out
>type gamess
>
>Nico
>
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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get. 

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900