mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-07 14:03:37 +01:00
8 lines
403 B
Bash
8 lines
403 B
Bash
|
file=$1
|
||
|
|
grep "N_det =" $1 | cut -d "=" -f 2 > N_det_tmp
|
||
|
|
grep "E =" $file | cut -d "=" -f 2 > E_tmp
|
||
|
|
grep "E+PT2 =" $file | cut -d "=" -f 2 | cut -d "+" -f 1 > E+PT2_tmp
|
||
|
|
grep "E+rPT2 =" $file | cut -d "=" -f 2 | cut -d "+" -f 1 > E+rPT2_tmp
|
||
|
|
paste N_det_tmp E_tmp E+PT2_tmp E+rPT2_tmp | column -s ' ' -t > $file.conv_fci
|
||
|
|
rm N_det_tmp E_tmp E+PT2_tmp E+rPT2_tmp
|