#2 Abinit reader and crystals support

closed
nobody
None
5
2002-10-10
2002-09-02
No

*I have added new functionnalities to my ABINIT reader
(ABINITReader.java). Now, the output files are also supported (molecular
dynamics for instance). A sample file is also given
(slab_7Si_3Vac_2x_relax_2x1.out).

*I have added a new class, CrystalFile.java, that extends ChemFile. This
is used to translate the unit cell loaded from an ABINIT file.

*I have added a new menu "Crystal" (see Jmol.properties) and a new
dialog Crystal->"Properties" (CrystalPropertiesDialog.java). This is
used to modify some parameters of the crystal. I hope it will be usefull
already but other features will come in the future. I am waiting your
comments...

*I had to modify ChemFile.java a little bit. I have only added a new
method "setFrame(int whichframe)" that is used by CrystalFile.

*Of course I had to modify Jmol.java to include my Crystal->Properties
Dialog.

Discussion

  • Bradley Smith

    Bradley Smith - 2002-10-10
    • status: open --> closed
     
  • Bradley Smith

    Bradley Smith - 2002-10-10

    Logged In: YES
    user_id=66880

    Made obsolete by patch 621196.

     

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