LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-03 20:54:00 +01:00
Code Issues Releases Wiki Activity

wrongly dimensioned s2_out in davidson_diag_hs2

Browse Source
This commit is contained in:
Yann Garniron 2016-10-26 12:28:41 +02:00
parent 1f4cd4c318
commit 6df982f2d0
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
src/Davidson/diagonalization_hs2.irp.f
View File

@ -22,7 +22,7 @@ subroutine davidson_diag_hs2(dets_in,u_in,s2_out,dim_in,energies,sze,N_st,N_st_d
integer, intent(in) :: dim_in, sze, N_st, N_st_diag, Nint, iunit
integer(bit_kind), intent(in) :: dets_in(Nint,2,sze)
double precision, intent(inout) :: u_in(dim_in,N_st_diag)
double precision, intent(out) :: energies(N_st), s2_out(N_st)
double precision, intent(out) :: energies(N_st), s2_out(N_st_diag)
double precision, allocatable :: H_jj(:), S2_jj(:)
double precision :: diag_h_mat_elem