LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-26 07:02:14 +02:00
Code Issues Releases Wiki Activity

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

Browse Source
This commit is contained in:
Anthony Scemama 2017-05-17 22:49:19 +02:00
commit ef07f9bc8e
1 changed files with 4 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

5
src/Determinants/density_matrix.irp.f
View File

@ -67,6 +67,7 @@ END_PROVIDER
enddo
enddo
if (k == N_det) cycle
l = k+1
lrow = psi_bilinear_matrix_rows(l)
lcol = psi_bilinear_matrix_columns(l)
@ -90,7 +91,9 @@ END_PROVIDER
lcol = psi_bilinear_matrix_columns(l)
enddo
l = psi_bilinear_matrix_order_reverse(k)+1
l = psi_bilinear_matrix_order_reverse(k)
if (l == N_det) cycle
l = l+1
! Fix alpha determinant, loop over betas
lrow = psi_bilinear_matrix_transp_rows(l)
lcol = psi_bilinear_matrix_transp_columns(l)