[Jmol-developers] [ jmol-Bugs-777445 ] Problems with certain ABINIT files

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Bugs item #777445, was opened at 2003-07-25 03:14
Message generated for change (Comment added) made by nobody
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Category: File Input/Output
Group: v7
Status: Closed
Resolution: Fixed
Priority: 5
Submitted By: Egon Willighagen (egonw)
Assigned to: Fabian Dortu (fdortu)
Summary: Problems with certain ABINIT files

Initial Comment:
Certain ABINIT files cannot be read. E.g. input files 
with more than one data set (e.g. pei2h2o.in in cvs 
HEAD/samples). This could be solved by having the 
input reader select a dataset as with the output 
reader. The output reader fails with an 
ArrayIndexOutOfBounds exception of the pei2h2o.out 
file, also in cvs HEAD/samples. 

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Comment By: Nobody/Anonymous (nobody)
Date: 2003-10-23 19:28

Message:
Logged In: NO 

In which jmol version has this (ntypat,typat) been fixed? not 
in v8, it would seem. also another change was made in abinit 
znucl is used instead of zatnum although this doesn't cause 
errors in jmol

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Comment By: Fabian Dortu (fdortu)
Date: 2003-07-25 06:40

Message:
Logged In: YES 
user_id=636907

The ouput reader failed in ABINIT v4.1.2 because "type" and
"ntype" were replaced by "typat" and "ntypat" respectively.
This problem has been fixed.

Concerning the input reader failing to open a multidataset
file: yes, yes I know, this is a lacking feature.... Maybe
in the next release;-)

Fabian

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