VMD-L Mailing List

From: Rob (spamrefuse_at_yahoo.com)
Date: Mon Jun 15 2009 - 01:32:28 CDT

Hi,

I have created a plugin for reading two types of output files from ABINIT:
the formatted/ascii GEO files, and the unformatted/binary DEN files.
I might put some more work in it later to extend it to other ABINIT in/output files.

Tell me what you think of it, if you are an ABINIT user and want to
try it out. Source code is here:

   http://skku.homeip.net/~lahaye/abinit/abinitplugin.c

All you have to do is:
 
$ gcc -O2 -Wall -I. -I$VMDBASEDIR/plugins/include -c abinitplugin.c
 
$ ld -shared -o abinitplugin.so abinitplugin.o

Then
  copy abinitplugin.so $VMDBASEDIR/plugins/$ARCH/molfile

The DEN files contain both structure and volumetric data and therefore
I read both of them; so after reading the DEN file you have the structure
plus the density together.

I have tested it on my own Linux systems (Fedora 10 & 11), on which I also
run the ABINIT code. I'm not sure how machine-independent my code is
for reading the binary DEN files.Let me know if you encounter problems.

Rob.