LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-20 04:12:21 +01:00
Code Releases Activity

updated get_fci_tc_conv.sh

Browse Source
This commit is contained in:
eginer 2024-05-06 17:47:48 +02:00
parent 76732ff299
commit 7335e29784
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
scripts/get_fci_tc_conv.sh
View File

@ -1,2 +1,2 @@
file=$1
grep "Ndet,E,E+PT2,E+RPT2,|PT2|=" $file | cut -d "=" -f 2 > ${file}.conv_fci_tc
grep "Ndet,E,E+PT2,pt2_minus,pt2_plus,pt2_abs=" $file | cut -d "=" -f 2 > ${file}.conv_fci_tc