PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 20:34:58 +01:00
Code Releases Activity

Merge branch 'dev-stable-tc-scf' of https://github.com/QuantumPackage/qp2 into dev-stable-tc-scf

Browse Source
This commit is contained in:
eginer 2023-04-12 22:44:28 +02:00
commit 79a7782681
1 changed files with 3 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

5
src/davidson/diagonalization_hs2_dressed.irp.f
View File

@ -465,8 +465,9 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,s2_out,energies,dim_in,sze,N_
integer :: lwork, info
double precision, allocatable :: work(:)
y = h
! y = h_p
! y = h
y = h_p
lwork = -1
allocate(work(1))
call dsygv(1,'V','U',shift2,y,size(y,1), &