AMSprep: construct an ADF COSMO results file
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The module amsprep is intended to facilitate scripting. More details
on amsprep can be found in the AMSprep section in the Scripting
manual. For COSMO-RS the most relevant is the ADFCRS template. The
template ADFCRS will perform a gas phase geometry optimization, and
next a COSMO calculation at the gas phase optimized geometry.

In the next example the result of the ADF calculation is a file called
adfwater.coskf, which is an ADF COSMO result file, that can be used as
input for a COSMO-RS calculation, see also the Example: COSMO-RS
Tutorial 1.

   cat << eor > water.xyz
   3

   H       0.00000000       0.77121000       0.18071000
   O       0.00000000      -0.00000000      -0.36142000
   H       0.00000000      -0.77121000       0.18071000
   eor

   "$AMSBIN/amsprep" -t ADFCRS -m water.xyz -j adfwater >job
   chmod +x job
   ./job
