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by jvoss
Tue Sep 18, 2007 10:23 am
Forum: Bader
Topic: Bader with Gaussian cube reference
Replies: 7
Views: 25786

patch for cube format as reference input

I've made a patch which allows bader to read cube files as reference densities:
http://dcwww.camd.dtu.dk/~jovo/bader_cuberef.diff
Run
patch -p1 <somepath/bader_cuberef.diff
inside the bader source directory to apply the patch.
Bader will distinguish between cube and chgcar automatically.