Documentation, Examples, Database

We have extended the Examples document to include more sample runs. The new functionality QMMM (in ADF) is described in a completely separate (and new) QMMM manual. The corresponding description in the ADF User's Guide is brief and mainly points to the QMMM manual.

The organization of sample runs, in the $ADFHOME/examples/ directory has been changed. Each sample run has now its own (sub) directory, containing the run script and the output file.

A few new basis sets have been added for Cm with 5d core, in the database directories II/ and IV/

 

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