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Clean MOs for TCSCF in qp_reset

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Anthony Scemama 2023-02-06 13:39:16 +01:00
parent 10bbe1f06e
commit 28549bf042
1 changed files with 1 additions and 0 deletions
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bin/qp_reset
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@ -105,6 +105,7 @@ if [[ $mos -eq 1 ]] ; then
echo "Warning: You will need to re-define the MO classes"
fi
rm --recursive --force -- ${ezfio}/mo_basis
rm --recursive --force -- ${ezfio}/bi_ortho_mos
rm --recursive --force -- ${ezfio}/work/mo_ints_*
fi