LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00
Code Releases Activity

Fix bug with dominant_cfg

Browse Source
This commit is contained in:
Anthony Scemama 2021-02-13 16:20:03 +01:00
parent 7fba897278
commit 7560e2762d
1 changed files with 8 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

11
src/determinants/configurations.irp.f
View File

@ -547,9 +547,14 @@ BEGIN_PROVIDER [ integer, dominant_cfg, (N_states) ]
! Configuration of the determinants with the largest weight, for each state ! Configuration of the determinants with the largest weight, for each state
END_DOC END_DOC
integer :: k integer :: k
do k=1,N_states dominant_cfg(1) = det_to_configuration(dominant_det(1))
dominant_cfg(k) = det_to_configuration(dominant_det(k)) if (N_det < N_states) then
enddo dominant_cfg(:) = dominant_cfg(1)
else
do k=1,N_states
dominant_cfg(k) = det_to_configuration(dominant_det(k))
enddo
endif
END_PROVIDER END_PROVIDER