On Wednesday 15 October 2003 11:35, Masayoshi Mikami wrote: > Thank you (Dank U) for the quick reply, and please accept > my apology about sending the big-sized e-mail (70KB). > (I might have overlooked the warning about the e-mail size > limitation (< 40KB).)
No problem. It's something we need to do to fight spam... :( > From: "E.L. Willighagen" <[EMAIL PROTECTED]> > Subject: Re: [Jmol-users] Jmol can accept ABINIT v.4.x.x outputs ? > Date: Wed, 15 Oct 2003 10:08:31 +0200 > Message-ID: <[EMAIL PROTECTED]> > > > On Wednesday 15 October 2003 09:40, Masayoshi Mikami wrote: > > > I have confirmed that the latest Jmol v.8 > > > now accepts *_CML.xml format (CML files for solids) > > > used in ABINIT ( http://www.abinit.org/ ). > > > ABINITioners will appreciate the feature very much. > > > > About the files you attached: may we put these in Jmol CVS, and > > distribute them? In addition, could you also send the output in CML > > format, so that I can add that one too to CVS? > > Yes, please distribute them. They are typical reference outputs > archived in the tar.gz balls which are freely available. Ok, thanx. > For the CML input files that I tried, they can be found > at the following URL: > http://www.abinit.org/ABINIT/Tests/Test_v3/ > Kindly notice t68.in_CML.xml, t69a.in_CML.xml, and t69b.in_CML.xml. What are the differences between them? > > > Now I have noticed that the Jmol can accept > > > the output format of v.3.x.x only, not of v.4.x.x. > > > > Thanx for the diff! That is very useful. I've filed a bug for this as > > Jmol's SourceForge website. > > Thank you (Dank U) ! ;) Waar heeft u Nederlands leren spreken? > > > I will enclose an example taken from ~ABINIT/Test_v4/Refs/t01.out; > > > the other reference outputs are available in the ABINIT tar.gz > > > ball as ~ABINIT/Test*/Refs/* (here "~ABINIT" denotes the location > > > where the archive is extracted). > > > The diff file (diff t01.out of v.3.4.6 and that of v.4.2.2) is > > > cited below. For your reference, the t01.out files of the both > > > version are attached. > > > > > > Any remedies would be highly appreciated to treat v.4.x.x > > > outputs with Jmol. > > > > The problem will be looked at. I'll try not to forget to send an email when it is fixed. But it should at least be fixed in the next release. Egon -- [EMAIL PROTECTED] PhD on Molecular Representation in Chemometrics Nijmegen University http://www.cac.sci.kun.nl/people/egonw/ GPG: 1024D/D6336BA6 ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. SourceForge.net hosts over 70,000 Open Source Projects. See the people who have HELPED US provide better services: Click here: http://sourceforge.net/supporters.php _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
