Bugs item #777445, was opened at 2003-07-25 03:14 Message generated for change (Comment added) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=777445&group_id=23629
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. ---------------------------------------------------------------------- Comment By: Nobody/Anonymous (nobody) Date: 2003-10-23 19:31 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. sebastien.hamel(at)umontreal.ca ---------------------------------------------------------------------- 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 ---------------------------------------------------------------------- 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 ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=777445&group_id=23629 ------------------------------------------------------- This SF.net email is sponsored by: The SF.net Donation Program. Do you like what SourceForge.net is doing for the Open Source Community? Make a contribution, and help us add new features and functionality. Click here: http://sourceforge.net/donate/ _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
