Thank you again for the reply. Just a few comments. From: "E.L. Willighagen" <[EMAIL PROTECTED]> Subject: Re: [Jmol-users] Jmol can accept ABINIT v.4.x.x outputs ? Date: Wed, 15 Oct 2003 11:40:08 +0200 Message-ID: <[EMAIL PROTECTED]>
> 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... :( Thanks for the relief. > > 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? The explanation of the input files, taken from README: 68. Slab of Mo (see Test_v1#41) Test the reading of a CML file 69. Dataset 1 : C supercell with a vacancy Dataset 2 : Si surface + water molecules (see Test_v1#42) Test the reading of two CML files Jmol v.8 now accept the CML files at last ! (NB: v.7 did not) > > > > 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? "Nee," unfortunately... I always consult with a book "Around the World with 80 words" by Charles Berlitz (the grandson of the founder of the "Berlitz" language school) when I write e-mails, by checking the nation code (e.g. ".nl"). ;-) > > > > 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 I remain very grateful (Dat is heel vriendelijk van U !), Yours, Masayoshi Mikami ------------------------------------------------------- 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
