One electron overlap integrals

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Posts 1632
Adam
The "overlap" printing is missing some matrix blocks since they are symmetry equivalent to others (that should be printed).
Anyhow, if you apply the patch below, all the element will be printed

http://www.nwchem-sw.org/images/Print1e.patch.gz

Here are the instructions for applyin the patch:

cd $NWCHEM_top/src
wget http://www.nwchem-sw.org/images/Print1e.patch.gz
gzip -d Print1e.patch
patch -p0 < Print1e.patch
cd ddscf
make
cd ..
make link


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