LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 13:53:49 +01:00
Code Issues Releases Wiki Activity

Merge branch 'master' of github.com:scemama/quantum_package

Browse Source
This commit is contained in:
Anthony Scemama 2018-06-27 16:32:51 +02:00
commit 7094bf4b15
1 changed files with 5 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

5
plugins/shiftedbk/EZFIO.cfg
View File

@ -3,6 +3,11 @@ type: double precision
doc: Calculated energy doc: Calculated energy
interface: ezfio interface: ezfio
[energy_pt2]
type: double precision
doc: Calculated energy with pt2 contribution
interface: ezfio
[thresh_dressed_ci] [thresh_dressed_ci]
type: Threshold type: Threshold
doc: Threshold on the convergence of the dressed CI energy doc: Threshold on the convergence of the dressed CI energy