From: Fabian Dortu <fabian.dortu@wa...>  20020816 15:47:15

Hi, Here is my little contribution to the JMol project: an ABINIT Reader. ABINIT (www.abinit.org) is a Density Functional Theory Package to compute total energy, electron density,... of a system of electrons and nuclei. An abinit input file contains information about the geometry of the system and a lot of variables to define what to compute. Of course, only the geometry information is usefull for jmol. So far, ABINITReader only understand abinit *input* files. I intend to make it also understand abinit *output* files in the future. Actually, abinit essentially deals with crystals. Therefore, I would like to implement an interface in JMol to enter the periodicity of the crystal (basis vectors, space group, ...), the clipping box, etc. Do you think it has something to do with the JMol project? I am waiting for your comments! Regards Fabian  ********** Fabian Dortu Collegeberg 16 3000 Leuven Belgium Phone : 32475599268 emails : Fabian.Dortu@... Fabian.Dortu@... *********************************************** 