qp2/scripts/get_fci_tc_conv.sh

mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 19:43:32 +01:00
file=$1
grep "Ndet,E,E+PT2,pt2_minus,pt2_plus,pt2_abs=" $file | cut -d "=" -f 2 > ${file}.conv_fci_tc
added Hn.py 2023-03-28 12:43:15 +02:00			`file=$1`
updated get_fci_tc_conv.sh 2024-05-06 17:47:48 +02:00			`grep "Ndet,E,E+PT2,pt2_minus,pt2_plus,pt2_abs=" $file \| cut -d "=" -f 2 > ${file}.conv_fci_tc`